data_2mw9_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2mw9 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.665 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.776 0.322 . . . . 15.0 111.027 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -89.9 104.5 17.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.136 0.493 . . . . 15.0 110.148 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.7 p -102.64 123.54 46.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.435 -0.802 . . . . 15.0 109.697 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.25 115.7 27.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.424 0.631 . . . . 15.0 110.712 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.405 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 79.2 ttt180 -101.82 112.88 25.65 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.416 -0.811 . . . . 15.0 109.676 177.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.55 ' HG2' HG23 ' A' ' 445' ' ' THR . 75.3 mttt -92.29 104.8 17.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.388 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 444' ' ' LYS . 11.0 t -90.07 149.21 22.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.753 -174.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.98 -12.19 47.2 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.803 -0.635 . . . . 15.0 111.228 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.53 -12.57 45.92 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.742 -0.663 . . . . 15.0 110.215 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.9 26.66 10.22 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.872 -0.604 . . . . 15.0 112.134 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 440' ' ' THR . 61.8 mttp -136.56 140.34 42.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.953 0.406 . . . . 15.0 110.882 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.55 HG23 ' HG2' ' A' ' 439' ' ' LYS . 41.1 m -115.24 100.26 8.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.964 -0.562 . . . . 15.0 109.955 176.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.454 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 25.4 p90 -101.27 139.35 37.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.164 0.507 . . . . 15.0 109.862 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 459' ' ' LYS . 83.5 m-85 -94.27 116.04 28.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.784 -0.644 . . . . 15.0 110.248 -176.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.481 ' HH ' HD11 ' A' ' 453' ' ' LEU . 63.8 t80 -108.09 121.05 44.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.209 -0.905 . . . . 15.0 110.18 -175.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.0 t-20 -90.2 114.22 26.16 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.382 -0.599 . . . . 15.0 109.382 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.6 -1.57 38.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 15.0 111.164 -173.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.665 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 16.8 tpp180 -96.13 -51.42 4.43 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.069 -0.252 . . . . 15.0 110.683 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.3 p -95.6 -3.43 46.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.562 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.481 HD11 ' HH ' ' A' ' 448' ' ' TYR . 3.3 mm? 66.12 30.91 9.16 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.281 0.562 . . . . 15.0 110.14 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -89.68 129.27 36.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.61 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.4 p -123.83 113.14 18.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.872 0.368 . . . . 15.0 110.284 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -131.02 149.98 52.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.85 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 88.3 m95 -94.83 3.17 55.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.398 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -124.35 126.9 46.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.8 -0.636 . . . . 15.0 109.533 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.784 ' H ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -70.71 127.78 91.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 121.156 0.503 . . . . 15.0 111.763 -175.051 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -51.08 165.18 0.53 Allowed 'Trans proline' 0 N--CA 1.475 0.436 0 C-N-CA 124.233 3.288 . . . . 15.0 113.172 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.07 -23.5 7.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.921 -1.036 . . . . 15.0 111.666 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.33 -22.86 67.14 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.344 0.592 . . . . 15.0 110.641 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 459' ' ' LYS . 62.0 mt -119.52 -73.3 0.65 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.496 -0.775 . . . . 15.0 109.675 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.546 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.243 0.727 0 O-C-N 123.94 0.775 . . . . 15.0 111.248 175.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.492 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 2.0 mt-10 . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 109.3 -0.629 . . . . 15.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -90.08 119.66 30.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.184 -0.916 . . . . 15.0 110.464 -176.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 15.4 t -95.91 135.57 37.49 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.152 -0.685 . . . . 15.0 109.152 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -89.78 102.43 15.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.859 0.837 . . . . 15.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -97.22 113.75 25.39 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.198 -0.91 . . . . 15.0 109.775 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -89.84 106.23 18.33 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.11 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 m -91.77 136.14 33.37 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.856 -1.065 . . . . 15.0 110.683 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.29 2.6 1.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.106 0.41 . . . . 15.0 112.106 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.99 -1.16 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.481 0.658 . . . . 15.0 109.595 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 17.87 52.25 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.549 -0.75 . . . . 15.0 111.696 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -136.01 137.84 41.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.91 0.386 . . . . 15.0 110.417 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 29.0 m -104.6 99.72 9.39 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.291 -0.633 . . . . 15.0 109.291 174.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.441 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.9 p90 -90.07 131.36 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 -175.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -93.88 122.84 36.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.668 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.588 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 88.8 t80 -116.29 123.69 48.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.336 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.492 ' ND2' ' H ' ' A' ' 434' ' ' GLU . 22.3 t-20 -89.76 111.16 22.08 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.441 -0.948 . . . . 15.0 108.441 176.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.12 -13.93 61.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.151 -0.477 . . . . 15.0 111.444 -173.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 451' ' ' ARG . 8.8 tpt180 -84.55 -49.54 8.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.405 -0.362 . . . . 15.0 111.205 -177.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.3 p -102.01 0.23 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.702 0.26 . . . . 15.0 111.702 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.5 mp 65.12 28.22 12.28 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.147 -0.478 . . . . 15.0 111.18 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -89.73 119.77 30.42 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.91 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.588 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 3.5 p -116.49 124.04 48.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.738 0.304 . . . . 15.0 110.734 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.4 t -135.34 147.26 49.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.493 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.441 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.2 m95 -95.86 -12.23 25.54 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.191 0.519 . . . . 15.0 110.024 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -97.34 146.49 25.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.745 -0.835 . . . . 15.0 108.745 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -66.08 122.52 81.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 123.226 0.329 . . . . 15.0 111.133 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -58.3 153.55 46.23 Favored 'Trans proline' 0 CA--C 1.514 -0.502 0 C-N-CA 122.71 2.273 . . . . 15.0 110.31 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -56.65 -27.22 58.1 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 123.356 0.41 . . . . 15.0 111.929 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.42 -11.09 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 15.0 111.485 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 75.5 mt -134.77 12.88 3.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.009 -0.541 . . . . 15.0 111.407 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 49.3 tptt . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.949 -0.548 . . . . 15.0 111.043 -174.006 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.742 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 7.8 tp10 . . . . . 0 C--O 1.235 0.293 0 N-CA-C 109.069 -0.715 . . . . 15.0 109.069 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -89.74 112.55 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.731 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.2 p -98.16 146.73 25.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.579 -0.282 . . . . 15.0 111.084 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -89.62 120.19 30.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.149 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.428 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 69.6 ttt180 -126.5 105.2 8.58 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.717 -0.393 . . . . 15.0 110.939 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.775 ' HG2' HG22 ' A' ' 445' ' ' THR . 9.9 mtmp? -97.41 107.08 19.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.1 t -91.5 150.23 21.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.705 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.18 -4.66 1.2 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.609 0.596 . . . . 15.0 112.609 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -79.18 2.41 21.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.569 0.699 . . . . 15.0 109.716 175.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.27 30.25 38.03 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.645 -0.707 . . . . 15.0 112.242 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -134.26 136.3 43.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.234 0.54 . . . . 15.0 111.169 -175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.775 HG22 ' HG2' ' A' ' 439' ' ' LYS . 13.1 m -112.83 102.85 10.84 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.031 -0.986 . . . . 15.0 109.411 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.428 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 12.8 p90 -119.92 150.14 40.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.977 0.418 . . . . 15.0 110.673 -175.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -101.38 125.77 48.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.608 -0.724 . . . . 15.0 111.176 -175.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -115.46 122.03 44.52 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.389 -0.823 . . . . 15.0 110.002 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -90.01 117.32 28.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.202 -0.666 . . . . 15.0 109.202 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -81.02 -0.11 38.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.559 -173.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.742 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 12.5 ttm180 -108.86 -28.03 9.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.819 0.342 . . . . 15.0 111.192 -177.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 70.9 p -112.65 -2.6 14.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.827 0.346 . . . . 15.0 110.898 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.5 mp 60.86 34.35 19.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.227 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -96.92 117.32 30.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.375 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.0 p -102.71 109.76 21.46 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.9 t -123.99 149.96 45.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.787 0.327 . . . . 15.0 110.647 -176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -96.39 -1.09 48.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.075 0.464 . . . . 15.0 110.87 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -106.48 139.01 41.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 15.0 110.037 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.635 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 21.8 ttmm -68.98 120.23 74.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 110.357 -0.238 . . . . 15.0 110.357 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.0 Cg_exo -67.38 154.25 74.46 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.947 2.431 . . . . 15.0 112.105 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -63.48 -14.88 55.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.596 -0.729 . . . . 15.0 112.214 -176.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.11 -9.36 53.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.281 -0.262 . . . . 15.0 111.527 -177.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 34.4 mt -126.44 11.82 7.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 15.0 110.93 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.635 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.6 ttpm? . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.597 -0.716 . . . . 15.0 110.192 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.631 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 4.0 tp10 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.881 0.372 . . . . 15.0 110.438 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -90.17 123.19 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.062 0.458 . . . . 15.0 111.312 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.3 m -121.66 125.63 47.12 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.161 -0.681 . . . . 15.0 109.161 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.485 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.6 pt-20 -89.79 125.74 35.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.732 0.777 . . . . 15.0 110.577 -177.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.421 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 48.7 ttt180 -113.85 113.58 25.09 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.003 -0.999 . . . . 15.0 109.979 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.469 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 46.4 mttm -93.2 110.44 21.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.905 -0.589 . . . . 15.0 109.565 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.8 t -90.08 150.3 22.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.885 -0.598 . . . . 15.0 110.607 -176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.68 -9.56 9.53 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.065 -175.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -65.36 -22.86 66.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.405 0.622 . . . . 15.0 110.323 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.31 35.83 3.77 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.81 -0.71 . . . . 15.0 112.032 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -142.32 141.36 32.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.015 0.436 . . . . 15.0 110.575 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.469 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 3.6 t -116.66 112.14 20.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.0 178.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.421 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 36.0 p90 -112.89 148.1 35.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.448 . . . . 15.0 110.558 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.55 ' CE2' ' HG ' ' A' ' 463' ' ' LEU . 62.4 m-85 -95.5 118.93 33.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -107.58 115.98 31.13 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.435 -0.802 . . . . 15.0 110.406 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 17.6 t-20 -90.04 111.34 22.42 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.867 -0.79 . . . . 15.0 108.867 175.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -74.24 -13.83 60.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.838 0.351 . . . . 15.0 111.517 -174.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.631 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 44.9 ttt180 -87.83 -29.62 20.8 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.158 -0.217 . . . . 15.0 111.365 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.6 p -114.75 -6.45 12.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.651 0.241 . . . . 15.0 111.651 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 87.0 mt 67.86 23.39 8.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.178 0.514 . . . . 15.0 110.179 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -90.02 132.8 35.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.933 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 30.2 p -120.02 113.44 20.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.786 0.327 . . . . 15.0 110.437 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.497 ' HB ' ' OE2' ' A' ' 458' ' ' GLU . 73.2 p -110.85 147.11 35.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.543 -0.299 . . . . 15.0 110.491 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -93.02 -3.79 53.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.448 0.642 . . . . 15.0 109.914 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.497 ' OE2' ' HB ' ' A' ' 456' ' ' THR . 0.8 OUTLIER -124.83 145.31 49.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.006 -0.997 . . . . 15.0 109.547 177.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -71.4 119.29 72.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.895 0.378 . . . . 15.0 110.969 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.833 ' HD2' HD22 ' A' ' 463' ' ' LEU . 52.5 Cg_exo -57.52 161.77 11.42 Favored 'Trans proline' 0 CA--C 1.517 -0.329 0 C-N-CA 122.749 2.3 . . . . 15.0 111.243 170.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -51.04 -24.32 3.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.207 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.62 -17.28 61.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.682 0.277 . . . . 15.0 111.432 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.833 HD22 ' HD2' ' A' ' 460' ' ' PRO . 1.0 OUTLIER -121.88 8.82 9.95 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.4 tmtp? . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.42 -0.8 . . . . 15.0 109.797 -174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.49 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 6.3 tp10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.408 0.623 . . . . 15.0 109.917 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -97.4 120.75 38.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.307 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 26.6 m -90.09 109.7 20.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.986 -0.552 . . . . 15.0 109.676 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -89.98 123.38 33.84 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.608 -0.724 . . . . 15.0 109.769 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.467 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 66.7 ttt180 -147.23 134.26 20.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.197 -0.456 . . . . 15.0 110.82 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 3.3 mppt? -89.66 127.39 35.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.052 0.453 . . . . 15.0 110.367 175.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.14 148.75 22.79 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.277 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.06 -18.19 22.93 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.296 0.48 . . . . 15.0 112.296 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.27 -6.32 49.22 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.18 0.514 . . . . 15.0 111.043 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.01 41.74 6.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.825 -0.702 . . . . 15.0 111.658 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm -126.28 143.52 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.409 -0.219 . . . . 15.0 110.409 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.1 m -111.32 101.36 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.466 -0.568 . . . . 15.0 109.466 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.467 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 18.8 p90 -109.59 137.81 46.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.124 0.488 . . . . 15.0 110.161 -176.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.423 ' OH ' ' HE3' ' A' ' 459' ' ' LYS . 79.5 m-85 -103.03 114.37 28.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.752 -0.658 . . . . 15.0 110.502 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -97.22 107.2 19.67 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -89.96 129.16 36.34 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.831 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -99.96 -2.05 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.652 0.612 . . . . 15.0 112.652 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.49 ' HB3' ' HG2' ' A' ' 434' ' ' GLU . 4.3 ptm180 -96.82 -24.42 15.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 120.178 -0.609 . . . . 15.0 111.459 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 36.3 p -126.96 -3.98 6.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.524 0.202 . . . . 15.0 110.966 176.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 58.96 77.8 0.29 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.521 0.677 . . . . 15.0 111.314 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -150.09 134.88 17.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.89 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 27.9 t -110.38 111.11 22.17 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.492 -0.559 . . . . 15.0 109.492 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 48.5 p -104.82 149.97 25.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.128 -176.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -105.36 -5.4 20.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.068 -0.715 . . . . 15.0 109.068 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -97.02 149.58 21.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.047 -0.979 . . . . 15.0 109.709 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 3.6 tmtp? -76.81 111.07 13.86 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.653 -0.499 . . . . 15.0 109.653 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.0 Cg_exo -68.88 141.0 47.57 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.121 2.547 . . . . 15.0 111.83 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.835 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 10.1 tt0 -66.63 -17.9 65.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.107 0.479 . . . . 15.0 111.114 -178.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -68.37 -14.98 63.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.258 0.551 . . . . 15.0 110.438 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.449 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 8.7 mp -128.33 11.82 6.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.228 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.835 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 38.1 ttpt . . . . . 0 C--O 1.248 1.014 0 O-C-N 123.884 0.74 . . . . 15.0 112.619 -170.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.174 0 N-CA-C 111.953 0.353 . . . . 15.0 111.953 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.505 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 97.5 m95 -89.74 116.96 28.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.675 0.274 . . . . 15.0 110.3 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.7 t -121.94 136.38 54.92 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.439 -0.578 . . . . 15.0 109.439 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -90.0 107.94 19.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.997 0.904 . . . . 15.0 110.247 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.583 ' HD2' ' CE2' ' A' ' 446' ' ' TYR . 0.7 OUTLIER -90.06 125.71 35.51 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.723 -1.126 . . . . 15.0 109.007 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -89.79 118.15 29.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.367 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.2 m -89.91 131.51 35.79 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.373 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.32 -5.85 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.317 0.488 . . . . 15.0 112.317 -173.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -80.55 -9.63 59.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.024 0.44 . . . . 15.0 110.683 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.16 36.44 3.63 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.829 -0.701 . . . . 15.0 112.508 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.474 ' HE2' ' HB3' ' A' ' 444' ' ' LYS . 6.6 ptpt -150.26 150.08 31.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.132 -0.321 . . . . 15.0 110.132 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.9 t -113.64 139.55 48.94 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.137 -0.32 . . . . 15.0 110.137 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.583 ' CE2' ' HD2' ' A' ' 438' ' ' ARG . 23.0 p90 -129.72 138.45 51.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.826 -0.435 . . . . 15.0 109.826 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 455' ' ' SER . 29.6 m-85 -90.13 124.14 34.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.071 0.462 . . . . 15.0 111.284 -176.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -112.98 125.91 54.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.452 -0.794 . . . . 15.0 109.845 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.514 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.6 t-20 -107.55 119.17 38.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.147 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -72.31 -15.36 61.89 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.403 0.439 . . . . 15.0 111.836 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.498 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 51.7 ttp180 -83.82 -42.01 16.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.637 0.256 . . . . 15.0 111.342 -177.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.1 t -105.85 -4.28 20.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.556 -0.293 . . . . 15.0 110.885 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.9 mp 62.32 32.72 16.89 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.824 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.595 ' HB2' HG23 ' A' ' 452' ' ' THR . 4.8 mm-40 -105.78 134.97 48.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.63 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 22.8 p -119.73 112.07 18.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.247 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.2 t -128.18 150.08 50.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.937 0.399 . . . . 15.0 111.012 -173.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 89.0 m95 -93.19 -3.64 53.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.987 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -114.88 140.42 48.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.425 -0.583 . . . . 15.0 109.425 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -69.55 119.14 68.91 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.999 0.428 . . . . 15.0 111.244 -176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.486 ' HD2' HD21 ' A' ' 463' ' ' LEU . 37.1 Cg_exo -62.82 160.51 32.83 Favored 'Trans proline' 0 CA--C 1.517 -0.353 0 C-N-CA 123.554 2.836 . . . . 15.0 112.086 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -62.93 -10.49 13.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.298 -0.864 . . . . 15.0 111.575 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.67 -11.51 55.75 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.117 -0.364 . . . . 15.0 110.847 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.486 HD21 ' HD2' ' A' ' 460' ' ' PRO . 3.0 mm? -119.32 -13.06 9.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.1 0.476 . . . . 15.0 110.243 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.253 -0.879 . . . . 15.0 110.239 -176.807 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.553 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.234 0.251 0 N-CA-C 108.043 -1.095 . . . . 15.0 108.043 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -95.29 127.57 41.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.338 -1.301 . . . . 15.0 110.426 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 12.7 t -109.15 135.37 50.39 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.901 -0.778 . . . . 15.0 108.901 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.83 112.61 24.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.652 0.739 . . . . 15.0 110.582 -176.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -108.83 119.38 39.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.378 -0.828 . . . . 15.0 110.176 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 445' ' ' THR . 20.8 ptmt -97.31 120.05 36.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.451 0.643 . . . . 15.0 110.389 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 15.1 t -90.12 150.52 22.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.221 -0.9 . . . . 15.0 109.628 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.97 -11.85 3.88 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.639 0.607 . . . . 15.0 112.639 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.62 -12.47 61.67 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.185 0.517 . . . . 15.0 110.629 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 95.0 26.94 11.6 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.007 -0.616 . . . . 15.0 111.812 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -126.55 130.76 51.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.832 0.348 . . . . 15.0 110.409 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 77.9 m -103.64 109.83 21.67 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.509 -0.552 . . . . 15.0 109.509 177.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.549 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 45.2 p90 -108.89 138.63 44.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.215 -0.448 . . . . 15.0 109.854 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -93.0 122.91 35.85 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.557 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -109.68 117.83 34.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.358 -0.837 . . . . 15.0 110.803 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -96.37 118.35 32.73 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.931 -0.766 . . . . 15.0 108.931 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -93.47 -7.6 43.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.152 0.501 . . . . 15.0 111.007 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.553 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 6.6 tpp180 -84.93 -35.15 22.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.954 0.407 . . . . 15.0 110.841 -178.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -113.65 -9.74 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.148 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 48.8 tp 64.77 82.83 0.18 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.486 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -146.19 135.17 22.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.262 -0.881 . . . . 15.0 110.053 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.6 p -130.81 113.11 13.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.935 -0.394 . . . . 15.0 109.935 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.5 t -128.79 149.88 50.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.473 -0.33 . . . . 15.0 110.686 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.549 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.3 m95 -90.28 -4.25 57.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.159 0.504 . . . . 15.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -98.84 139.13 34.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.078 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 41.0 ttmt -65.65 125.94 90.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.249 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 38.5 Cg_exo -61.18 143.52 98.6 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.897 2.398 . . . . 15.0 112.21 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -54.36 -29.13 47.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.44 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.53 -9.54 58.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.003 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.62 8.06 5.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.182 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.498 -0.763 . . . . 15.0 110.522 -177.497 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.554 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -133.87 109.15 8.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.09 0.471 . . . . 15.0 111.138 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 21.5 m -103.02 131.2 50.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.0 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -89.81 128.22 36.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.208 0.528 . . . . 15.0 110.112 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -120.28 113.66 20.72 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.813 -0.631 . . . . 15.0 109.914 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -103.98 107.93 19.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.969 -0.559 . . . . 15.0 109.608 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.9 t -89.95 150.0 22.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.251 -0.431 . . . . 15.0 110.562 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.08 -5.22 12.31 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.39 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.15 -9.92 59.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.375 0.607 . . . . 15.0 110.001 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.78 31.78 8.0 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.852 -0.613 . . . . 15.0 112.38 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -133.6 138.09 45.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.05 0.452 . . . . 15.0 110.735 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.3 m -113.69 108.11 16.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.607 -0.724 . . . . 15.0 109.745 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.584 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 49.3 p90 -118.52 140.99 49.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.103 0.478 . . . . 15.0 110.734 -177.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.411 ' OH ' ' HD3' ' A' ' 459' ' ' LYS . 23.7 m-85 -97.98 128.11 44.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.427 0.632 . . . . 15.0 110.84 -176.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -116.59 118.79 33.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.812 -1.086 . . . . 15.0 110.789 -174.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -93.27 117.71 30.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.311 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -97.6 -5.71 34.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.219 0.533 . . . . 15.0 110.621 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 22.5 tpt180 -78.53 -39.57 37.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.692 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.2 p -122.24 -4.21 8.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 15.0 111.555 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 65.3 80.4 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.575 0.702 . . . . 15.0 110.5 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -145.2 120.07 9.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.078 -0.964 . . . . 15.0 109.792 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.5 t -114.57 126.53 55.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.906 0.384 . . . . 15.0 110.209 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.0 t -128.24 144.36 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.55 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 90.6 m95 -90.64 -4.81 56.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.202 0.525 . . . . 15.0 110.187 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -109.23 118.51 36.91 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.706 -0.849 . . . . 15.0 108.706 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.785 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 32.8 ttpt -60.57 123.05 72.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 15.0 111.624 -175.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -52.46 141.77 50.42 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.975 2.45 . . . . 15.0 112.28 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -58.83 -22.55 59.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 15.0 111.745 -175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -70.47 -19.15 62.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.179 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.467 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 6.1 mp -125.32 4.33 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.546 -0.297 . . . . 15.0 110.629 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.785 ' HA ' ' HE3' ' A' ' 459' ' ' LYS . 31.8 ttmt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.59 -0.719 . . . . 15.0 111.486 -172.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.624 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 5.0 tt0 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 108.205 -1.035 . . . . 15.0 108.205 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -90.17 110.4 21.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.537 -0.756 . . . . 15.0 111.783 -168.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 44.1 m -92.91 113.4 25.67 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.005 -0.998 . . . . 15.0 108.907 171.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -91.64 120.83 32.75 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.056 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' A' ' 438' ' ' ARG . 17.1 ttp180 -133.03 144.08 49.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.134 0.493 . . . . 15.0 110.281 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -89.95 125.85 35.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.798 -0.637 . . . . 15.0 110.283 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 442' ' ' ASP . 94.4 m -90.05 139.42 30.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.412 -0.813 . . . . 15.0 109.191 176.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.65 -14.89 23.34 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.675 0.62 . . . . 15.0 112.675 -172.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.548 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 30.8 t70 -73.24 -16.8 61.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.104 0.478 . . . . 15.0 110.61 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.54 27.86 6.6 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.807 -0.711 . . . . 15.0 111.668 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.548 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 66.3 mttm -121.64 135.41 54.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.859 0.361 . . . . 15.0 110.487 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.2 m -97.48 113.63 25.35 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.718 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -110.65 139.23 46.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.735 -0.469 . . . . 15.0 109.735 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -100.33 112.57 24.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.76 -0.654 . . . . 15.0 109.94 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -103.99 116.37 32.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.492 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.624 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 39.8 t-20 -89.61 112.42 23.63 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.477 -0.934 . . . . 15.0 108.477 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -71.63 -25.43 62.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.411 -0.813 . . . . 15.0 112.095 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.465 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 22.4 ttm180 -77.85 -35.73 50.76 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.95 -0.3 . . . . 15.0 111.356 -175.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.3 p -109.44 -8.26 15.06 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.895 -0.322 . . . . 15.0 111.809 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.5 mp 69.77 22.28 6.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.273 0.629 . . . . 15.0 110.616 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.41 122.11 32.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.796 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.0 m -106.66 113.34 26.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.465 -0.334 . . . . 15.0 110.291 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 53.3 p -104.55 136.89 43.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.021 0.438 . . . . 15.0 110.626 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -98.88 0.69 44.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.317 0.58 . . . . 15.0 109.583 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -121.58 146.63 46.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.191 -0.913 . . . . 15.0 109.783 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 41.4 mttm -57.53 129.02 80.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 113.026 0.75 . . . . 15.0 113.026 -175.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 18.4 Cg_exo -69.01 147.64 68.12 Favored 'Trans proline' 0 C--O 1.238 0.523 0 C-N-CA 123.283 2.655 . . . . 15.0 111.573 175.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -70.85 -18.12 62.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.212 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -78.46 -8.98 59.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.955 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 7.4 mp -117.79 -65.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.994 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.306 -0.854 . . . . 15.0 110.081 -176.22 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.647 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 5.4 tp10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 107.864 -1.162 . . . . 15.0 107.864 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -89.89 127.95 36.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.793 -1.094 . . . . 15.0 110.511 -173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.9 p -109.97 139.94 44.52 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.606 -0.724 . . . . 15.0 109.613 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -99.72 124.3 44.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.216 0.531 . . . . 15.0 110.195 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -122.56 112.49 18.07 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.201 -0.454 . . . . 15.0 110.339 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -90.12 111.9 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.736 -0.666 . . . . 15.0 109.424 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 444' ' ' LYS . 13.5 t -102.15 150.02 23.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.48 -0.327 . . . . 15.0 110.163 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.65 3.36 3.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.03 0.443 . . . . 15.0 111.739 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.51 -4.15 44.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.513 0.673 . . . . 15.0 109.359 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 31.87 10.51 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.387 -0.824 . . . . 15.0 112.338 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 440' ' ' THR . 77.0 mttt -144.85 138.31 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.309 0.576 . . . . 15.0 111.293 -174.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 37.0 m -113.19 101.72 9.69 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.392 -0.822 . . . . 15.0 109.391 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 49.9 p90 -101.43 142.91 32.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.966 0.412 . . . . 15.0 110.606 -176.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -100.78 123.23 44.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.422 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.643 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 81.7 t80 -111.07 120.71 43.25 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.744 -0.662 . . . . 15.0 110.657 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.512 ' OD1' ' HB3' ' A' ' 434' ' ' GLU . 42.8 t-20 -89.82 114.97 26.78 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.158 -0.682 . . . . 15.0 109.158 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -74.13 -19.85 60.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.092 -0.504 . . . . 15.0 111.637 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.647 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 17.2 ttm180 -88.66 -30.15 19.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.702 0.287 . . . . 15.0 111.476 -173.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 31.1 p -113.66 -1.16 14.09 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.951 -0.3 . . . . 15.0 111.173 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.8 mp 64.81 22.44 12.53 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.758 -0.655 . . . . 15.0 111.11 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -92.76 111.49 23.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.4 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.643 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 7.2 p -101.06 120.68 40.55 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.01 -0.541 . . . . 15.0 109.897 175.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -129.44 150.21 50.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.279 0.561 . . . . 15.0 111.447 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.6 m95 -90.1 1.53 56.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.826 178.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -107.21 135.68 48.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.866 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 37.5 ttpt -72.15 119.99 77.8 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.914 0.387 . . . . 15.0 110.616 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 22.7 Cg_exo -67.01 152.9 79.47 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 123.485 2.79 . . . . 15.0 111.904 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.71 -15.36 52.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.52 -178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.74 -21.91 65.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.015 0.436 . . . . 15.0 110.532 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.424 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 3.3 mm? -123.57 24.95 8.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.666 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.089 -0.959 . . . . 15.0 112.317 -175.198 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.948 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 1.2 mp0 . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 120.57 0.224 . . . . 15.0 111.251 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.428 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 81.6 m95 -89.65 110.1 21.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.372 -0.377 . . . . 15.0 110.484 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.1 m -104.46 110.3 22.52 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.479 -0.563 . . . . 15.0 109.479 175.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.537 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 1.8 pp20? -90.32 149.26 22.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.389 0.614 . . . . 15.0 110.641 -178.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.446 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 61.5 ttt180 -139.22 120.17 14.46 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.34 -0.845 . . . . 15.0 110.135 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.475 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 41.2 mttp -89.94 108.8 19.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.898 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -94.18 150.34 20.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.442 -0.344 . . . . 15.0 110.204 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.53 -5.05 3.31 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.991 -0.55 . . . . 15.0 111.961 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.75 -5.84 36.93 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.43 0.633 . . . . 15.0 110.16 174.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.49 30.73 18.11 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.846 -0.693 . . . . 15.0 112.058 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.447 ' O ' HG22 ' A' ' 440' ' ' THR . 60.7 mttp -143.05 140.06 30.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.647 0.26 . . . . 15.0 110.305 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.475 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 9.9 t -110.23 129.78 55.66 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.768 -0.827 . . . . 15.0 108.768 168.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 41.1 p90 -116.54 130.89 57.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.22 0.533 . . . . 15.0 110.061 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.537 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 37.2 m-85 -89.94 106.14 18.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.331 -0.85 . . . . 15.0 109.313 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -101.92 114.33 28.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.194 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.428 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 21.6 t-20 -90.24 115.6 27.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.895 -0.593 . . . . 15.0 109.651 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -81.05 -0.69 40.9 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.562 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.948 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 69.0 ttt180 -95.38 -44.18 7.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.658 0.266 . . . . 15.0 111.045 -177.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 14.2 p -108.17 2.15 22.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.707 0.289 . . . . 15.0 111.332 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.6 mp 62.47 29.89 17.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.021 -0.536 . . . . 15.0 111.025 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.46 128.64 38.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.362 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.6 t -100.85 106.43 17.8 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 172.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 63.4 m -113.97 127.34 55.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.173 -0.922 . . . . 15.0 110.541 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.5 m95 -97.44 -2.39 42.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.458 -174.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -109.17 152.17 25.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.097 -0.502 . . . . 15.0 110.282 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -66.83 116.46 35.4 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.267 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.46 143.18 97.25 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.131 2.554 . . . . 15.0 112.01 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -74.56 -14.98 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.987 -174.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -70.21 -16.66 63.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.96 0.409 . . . . 15.0 110.331 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.55 -49.59 3.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.821 -0.437 . . . . 15.0 109.821 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.251 1.137 0 CA-C-N 115.389 -0.823 . . . . 15.0 111.14 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.796 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.327 0 CA-C-O 121.407 0.623 . . . . 15.0 109.754 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -89.8 120.19 30.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.508 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.2 p -105.01 124.04 48.85 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.989 -0.374 . . . . 15.0 109.989 173.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -89.99 109.89 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -116.81 116.01 26.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.271 0.558 . . . . 15.0 110.454 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.517 ' HG2' HG22 ' A' ' 445' ' ' THR . 85.8 mttt -91.78 116.34 28.81 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.263 -0.88 . . . . 15.0 109.507 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 444' ' ' LYS . 10.2 t -89.63 146.73 24.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.346 -0.388 . . . . 15.0 110.429 -175.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.82 -11.55 13.15 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.8 0.687 . . . . 15.0 112.033 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.66 -21.47 66.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.184 0.516 . . . . 15.0 110.181 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 103.86 20.39 10.74 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.839 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.432 ' O ' HG23 ' A' ' 440' ' ' THR . 29.6 mtmm -121.27 141.69 50.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.399 0.619 . . . . 15.0 111.177 -177.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.517 HG22 ' HG2' ' A' ' 439' ' ' LYS . 20.9 m -112.55 105.23 13.39 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.2 -0.909 . . . . 15.0 109.692 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 54.2 p90 -112.94 142.53 45.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.334 0.587 . . . . 15.0 110.542 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 455' ' ' SER . 79.5 m-85 -103.49 114.85 29.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.535 -175.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -107.31 119.6 39.85 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.576 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -89.85 115.08 26.91 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.219 -1.03 . . . . 15.0 108.219 173.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -77.64 -12.6 59.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.232 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.796 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 4.5 tpp180 -95.44 -21.56 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.443 -0.344 . . . . 15.0 111.435 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.5 p -121.87 -2.03 9.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.76 0.314 . . . . 15.0 111.166 176.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.2 mp 63.54 28.21 15.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.581 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -110.67 136.39 49.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.882 0.372 . . . . 15.0 110.502 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 13.8 t -117.72 120.1 36.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.844 0.354 . . . . 15.0 110.547 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.482 ' HB ' ' OE2' ' A' ' 458' ' ' GLU . 62.2 p -106.23 148.36 28.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.213 -0.449 . . . . 15.0 109.949 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 94.6 m95 -98.34 4.56 48.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.343 0.592 . . . . 15.0 110.601 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.482 ' OE2' ' HB ' ' A' ' 456' ' ' THR . 0.0 OUTLIER -118.85 153.22 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.703 174.677 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.459 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 25.0 tttp -75.2 118.2 68.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.447 -0.342 . . . . 15.0 111.035 -174.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.16 140.16 90.9 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.082 2.521 . . . . 15.0 111.309 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.848 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 61.4 tt0 -66.19 -18.98 65.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 15.0 111.046 -177.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -68.93 -16.48 63.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.558 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.81 10.83 9.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 15.0 109.948 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.848 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 12.1 tmtt? . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.531 -0.759 . . . . 15.0 109.918 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.747 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 10.1 tp10 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.987 0.422 . . . . 15.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.54 ' HB2' HD12 ' A' ' 463' ' ' LEU . 95.0 m95 -93.46 111.27 22.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.347 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.5 t -103.99 128.85 51.56 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.566 -0.531 . . . . 15.0 109.566 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.599 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.7 pt-20 -98.53 122.78 42.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.094 0.474 . . . . 15.0 110.464 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -125.69 148.25 49.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.741 -0.663 . . . . 15.0 110.433 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -89.86 119.27 30.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 15.0 110.813 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 79.0 m -89.99 142.22 27.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.182 -0.673 . . . . 15.0 109.182 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.91 10.06 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.65 0.611 . . . . 15.0 112.65 -173.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.53 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 33.7 t70 -74.76 -10.62 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.283 0.563 . . . . 15.0 110.455 176.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 97.02 26.08 10.67 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.868 -0.605 . . . . 15.0 112.381 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.53 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 64.1 mttm -126.7 140.75 52.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.715 0.293 . . . . 15.0 110.51 -177.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 m -101.34 109.22 21.03 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.66 -0.496 . . . . 15.0 109.66 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -104.78 144.97 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.98 0.419 . . . . 15.0 111.035 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 72.8 m-85 -99.91 118.7 36.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.697 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -104.09 118.95 37.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.33 -0.85 . . . . 15.0 110.378 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.743 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 24.2 t-20 -99.84 125.77 45.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.474 -0.33 . . . . 15.0 110.508 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.507 ' H ' ' HG3' ' A' ' 434' ' ' GLU . 0.2 OUTLIER -96.12 -9.32 31.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.552 -0.295 . . . . 15.0 111.439 -175.638 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.747 ' HB3' ' HG2' ' A' ' 434' ' ' GLU . 18.5 ptt180 -82.21 -25.77 33.9 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.417 -0.513 . . . . 15.0 110.201 -177.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 17.8 p -127.16 -7.79 5.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.488 177.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 452' ' ' THR . 4.0 mm? 71.54 30.81 2.38 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.475 0.655 . . . . 15.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.52 130.65 54.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.041 -0.981 . . . . 15.0 109.196 -176.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.7 t -124.44 122.95 39.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.011 0.434 . . . . 15.0 110.233 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.4 HG21 ' CZ3' ' A' ' 435' ' ' TRP . 9.5 t -122.4 149.96 43.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.815 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -88.35 -2.41 58.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.89 -0.595 . . . . 15.0 109.899 177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.84 145.38 24.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 15.0 110.148 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -78.18 113.36 32.87 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.337 -0.392 . . . . 15.0 109.953 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.13 142.99 52.31 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.993 2.462 . . . . 15.0 112.216 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.541 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 62.9 tt0 -69.46 -10.27 57.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.163 0.506 . . . . 15.0 110.965 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.4 ' C ' HD13 ' A' ' 463' ' ' LEU . 48.2 mt-10 -72.96 -21.86 60.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.507 . . . . 15.0 110.342 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 435' ' ' TRP . 7.0 mp -132.66 28.42 4.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.575 -0.739 . . . . 15.0 109.839 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.541 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.42 -0.8 . . . . 15.0 110.528 -177.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 111.53 0.196 . . . . 15.0 111.53 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.515 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 86.4 m95 -89.93 111.4 22.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.871 0.367 . . . . 15.0 110.202 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 31.5 m -93.01 125.21 37.49 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.52 -0.548 . . . . 15.0 109.52 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -90.08 110.32 21.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.311 0.577 . . . . 15.0 110.587 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -113.98 114.94 26.86 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.348 -0.842 . . . . 15.0 110.267 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -91.02 116.0 28.45 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.266 -0.642 . . . . 15.0 109.266 173.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.464 HG21 ' O ' ' A' ' 444' ' ' LYS . 15.0 t -89.76 149.29 22.78 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.354 -0.385 . . . . 15.0 110.178 -177.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.9 -3.45 3.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.928 -0.578 . . . . 15.0 112.228 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -75.46 -15.48 60.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.605 0.716 . . . . 15.0 109.932 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.2 31.92 6.99 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.893 -0.67 . . . . 15.0 111.923 -178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.464 ' O ' HG21 ' A' ' 440' ' ' THR . 43.0 mttp -133.4 139.93 47.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.858 0.361 . . . . 15.0 110.573 -178.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 m -108.07 116.44 31.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.157 -0.474 . . . . 15.0 110.026 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 53.7 p90 -120.88 138.92 53.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.316 0.579 . . . . 15.0 110.96 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.452 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 78.1 m-85 -98.33 114.27 26.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.257 -0.883 . . . . 15.0 110.447 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -101.76 116.31 32.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.923 -0.58 . . . . 15.0 109.992 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.515 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 23.4 t-20 -89.91 117.46 28.74 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.773 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -10.5 59.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.994 0.426 . . . . 15.0 110.792 -176.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.571 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 32.9 ttm180 -86.43 -29.09 23.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.396 -0.365 . . . . 15.0 111.001 -176.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.2 p -120.56 -7.81 9.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.449 -0.342 . . . . 15.0 111.471 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 78.9 mt 68.73 26.16 6.2 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.535 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -95.3 136.74 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.574 -0.739 . . . . 15.0 111.118 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -110.38 121.53 45.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.35 -0.611 . . . . 15.0 109.35 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 40.8 p -122.47 145.11 48.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 15.0 111.639 -175.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.557 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 92.9 m95 -96.6 12.53 31.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.148 0.499 . . . . 15.0 109.814 174.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -120.89 142.43 49.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.474 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.452 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 40.1 ttmt -78.97 116.99 64.22 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.793 0.33 . . . . 15.0 110.934 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.11 151.79 76.94 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.233 2.622 . . . . 15.0 111.627 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . 0.426 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 13.3 tt0 -64.09 -16.61 62.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 15.0 111.376 -176.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.91 -16.69 60.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.058 0.456 . . . . 15.0 110.792 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.441 ' N ' HD22 ' A' ' 463' ' ' LEU . 3.3 mm? -119.68 13.59 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 15.0 109.967 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.426 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 17.5 tptm . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.479 -0.772 . . . . 15.0 110.502 -174.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 4.2 mt-10 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.833 0.349 . . . . 15.0 111.151 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.465 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 94.0 m95 -90.05 117.25 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.942 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.4 m -115.96 138.71 50.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.234 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -90.06 118.14 29.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.585 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -123.06 122.94 39.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.29 0.567 . . . . 15.0 110.854 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.472 ' HG2' HG21 ' A' ' 445' ' ' THR . 51.2 mtpt -99.82 120.71 40.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.594 -0.73 . . . . 15.0 109.811 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.9 t -98.3 150.18 21.82 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.931 -0.308 . . . . 15.0 110.511 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.6 -14.65 63.12 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.363 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.27 -21.74 64.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.196 0.522 . . . . 15.0 110.142 175.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 106.26 32.66 3.65 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.769 -0.65 . . . . 15.0 111.91 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -135.52 136.52 41.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.182 0.515 . . . . 15.0 111.007 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.472 HG21 ' HG2' ' A' ' 439' ' ' LYS . 24.4 m -108.87 108.94 19.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.695 177.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.454 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 53.2 p90 -121.83 149.99 42.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.133 0.492 . . . . 15.0 111.101 -175.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.455 ' HB2' ' CG2' ' A' ' 456' ' ' THR . 75.4 m-85 -101.71 118.0 36.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.199 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -101.93 119.58 39.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.309 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.465 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 20.9 t-20 -90.04 113.86 25.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.857 -0.794 . . . . 15.0 108.857 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -77.93 -10.81 59.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.264 0.554 . . . . 15.0 111.037 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -85.94 -28.61 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.053 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 31.8 p -123.14 -2.64 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.835 0.309 . . . . 15.0 111.835 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.2 mp 66.86 23.64 9.93 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.872 0.469 . . . . 15.0 110.974 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.51 127.83 42.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.181 -0.463 . . . . 15.0 111.514 -175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.9 m -104.38 122.43 45.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.231 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 447' ' ' TYR . 9.9 t -113.47 146.16 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.053 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.4 m95 -98.76 -1.47 40.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.296 0.57 . . . . 15.0 110.097 -175.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -122.32 156.39 33.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.308 -0.86 . . . . 15.0 109.804 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.9 118.79 61.52 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.398 -178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.704 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 24.7 Cg_endo -62.01 153.52 68.27 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.171 2.581 . . . . 15.0 111.613 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -57.95 -31.1 66.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 15.0 112.29 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.51 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.4 pm0 -85.96 -4.3 59.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.918 0.34 . . . . 15.0 111.918 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.704 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 10.7 mp -116.99 4.89 12.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 15.0 110.563 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.615 -0.707 . . . . 15.0 110.068 -177.674 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 121.056 0.455 . . . . 15.0 111.23 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.425 ' HE3' ' HB3' ' A' ' 447' ' ' TYR . 99.4 m95 -90.63 117.98 29.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.823 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.8 t -124.04 123.79 41.13 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.773 -0.454 . . . . 15.0 109.773 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.54 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 11.4 pt-20 -89.86 128.36 36.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.738 0.78 . . . . 15.0 110.127 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.544 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 59.1 ttt180 -110.48 117.07 32.57 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.921 -1.036 . . . . 15.0 109.529 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.533 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 42.8 mtmt -91.93 116.12 28.64 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.541 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.8 t -96.27 150.4 20.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.611 -0.722 . . . . 15.0 109.769 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.5 7.07 0.89 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.142 0.423 . . . . 15.0 112.142 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.38 -6.66 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 15.0 109.176 171.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.9 28.05 17.04 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.298 -0.864 . . . . 15.0 112.171 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -142.51 141.19 32.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 15.0 110.615 -175.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.533 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 8.9 t -111.41 137.45 49.17 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.937 -0.574 . . . . 15.0 109.758 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.632 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 37.1 p90 -127.19 139.36 52.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.962 0.411 . . . . 15.0 110.316 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 81.2 m-85 -91.58 118.99 31.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.959 -177.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . 0.469 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 74.3 t80 -107.31 119.06 38.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.966 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.0 t-20 -104.55 117.62 34.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.643 177.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -86.11 -4.28 59.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.766 0.284 . . . . 15.0 111.766 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -82.96 -44.52 15.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.453 . . . . 15.0 110.686 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 36.0 p -110.28 -1.42 17.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.347 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 66.78 25.41 9.66 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.538 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.94 118.0 29.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 15.0 111.067 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.469 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 11.6 p -111.26 114.21 27.24 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 173.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -137.41 150.22 47.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.107 0.48 . . . . 15.0 110.989 -174.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.632 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 89.4 m95 -87.1 -1.54 57.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.989 -0.551 . . . . 15.0 109.625 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -83.81 134.67 34.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.428 -0.805 . . . . 15.0 110.525 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.751 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 2.6 ttmp? -78.1 115.06 47.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 175.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.432 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 35.8 Cg_endo -64.45 151.96 83.48 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.257 2.638 . . . . 15.0 112.655 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.87 -21.25 63.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.727 -0.67 . . . . 15.0 110.836 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.441 ' C ' HD12 ' A' ' 463' ' ' LEU . 11.7 tp10 -80.71 -16.03 54.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 15.0 111.398 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.441 HD12 ' C ' ' A' ' 462' ' ' GLU . 7.3 mp -131.67 17.95 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.481 -0.327 . . . . 15.0 110.929 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.751 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.5 ttpm? . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.065 -0.969 . . . . 15.0 110.767 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 1.012 ' HG3' ' HB3' ' A' ' 451' ' ' ARG . 27.0 tt0 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.43 0.157 . . . . 15.0 110.627 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -116.23 118.05 31.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.009 0.433 . . . . 15.0 111.055 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.8 p -133.78 128.32 34.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.878 -0.601 . . . . 15.0 110.231 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -90.05 131.47 35.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.084 0.469 . . . . 15.0 110.515 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -129.92 120.64 25.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.292 0.568 . . . . 15.0 110.645 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -89.83 108.29 19.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.347 -0.842 . . . . 15.0 108.744 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.424 HG21 ' O ' ' A' ' 444' ' ' LYS . 14.9 t -89.99 150.16 22.25 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.748 -173.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.47 -12.66 10.27 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.691 -0.686 . . . . 15.0 111.994 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -68.24 -9.78 49.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.289 0.566 . . . . 15.0 110.64 175.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.34 25.98 14.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.953 -0.641 . . . . 15.0 112.425 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.424 ' O ' HG21 ' A' ' 440' ' ' THR . 59.3 mttp -136.75 139.08 41.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.947 0.403 . . . . 15.0 110.715 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.8 m -106.44 104.12 13.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.078 -0.51 . . . . 15.0 109.743 177.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -116.17 150.1 38.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.918 0.389 . . . . 15.0 110.441 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -97.32 117.55 31.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.3 0.572 . . . . 15.0 110.659 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -90.33 125.81 35.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.401 -0.818 . . . . 15.0 109.987 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.691 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 19.3 t-20 -89.81 117.61 28.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.795 -0.639 . . . . 15.0 109.589 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -94.5 -17.97 21.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.54 0.57 . . . . 15.0 112.54 -169.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 1.012 ' HB3' ' HG3' ' A' ' 434' ' ' GLU . 38.5 ttm180 -92.81 -50.49 5.54 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.146 -0.622 . . . . 15.0 111.935 -176.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.84 1.69 43.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.164 0.431 . . . . 15.0 112.164 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.5 mt 62.05 89.89 0.08 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.654 0.74 . . . . 15.0 111.554 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -149.89 148.94 29.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.415 -0.811 . . . . 15.0 109.883 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.2 p -125.74 102.43 7.32 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.077 0.465 . . . . 15.0 109.828 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.9 t -106.12 142.28 36.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.977 -0.556 . . . . 15.0 110.099 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -107.28 -17.63 14.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.308 0.575 . . . . 15.0 110.181 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -92.47 153.46 19.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.4 -0.818 . . . . 15.0 110.053 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.473 ' HE2' ' HB3' ' A' ' 463' ' ' LEU . 18.8 tptm -67.71 117.41 47.6 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.244 -177.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.532 ' HB2' HD21 ' A' ' 463' ' ' LEU . 25.0 Cg_exo -63.7 145.26 90.98 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 123.002 2.468 . . . . 15.0 111.912 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -41.55 67.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.498 -0.774 . . . . 15.0 110.667 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.24 -21.53 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 15.0 111.998 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 460' ' ' PRO . 3.6 mm? -94.34 -52.89 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.997 -0.372 . . . . 15.0 109.997 178.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? . . . . . 0 C--O 1.249 1.07 0 CA-C-N 115.348 -0.842 . . . . 15.0 110.96 179.636 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 112.312 0.486 . . . . 15.0 112.312 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -92.08 109.84 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.797 0.332 . . . . 15.0 111.163 -177.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.9 t -94.88 140.03 30.5 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -94.31 118.05 31.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.176 0.512 . . . . 15.0 110.514 -178.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 438' ' ' ARG . 9.8 tpt180 -119.03 129.58 55.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.014 0.435 . . . . 15.0 110.67 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -89.65 122.08 32.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.978 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' THR . . . . . 0.401 HG21 ' H ' ' A' ' 442' ' ' ASP . 23.4 m -107.15 132.35 53.12 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.507 -0.769 . . . . 15.0 109.83 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.44 -4.67 6.07 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.931 -175.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . 0.401 ' H ' HG21 ' A' ' 440' ' ' THR . 18.7 t70 -69.77 -17.64 63.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.426 0.632 . . . . 15.0 110.314 173.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 106.31 16.95 13.32 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.846 -0.693 . . . . 15.0 112.045 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . 0.491 ' HD2' ' CE3' ' A' ' 457' ' ' TRP . 20.9 mttp -124.83 150.11 46.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.783 0.325 . . . . 15.0 110.269 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.3 m -114.06 97.71 6.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.769 -0.826 . . . . 15.0 108.769 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.629 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 19.6 p90 -89.97 134.14 34.4 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.455 0.645 . . . . 15.0 110.218 -173.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.427 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 98.1 m-85 -99.85 116.2 31.36 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.265 -0.88 . . . . 15.0 109.916 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -104.06 124.95 49.97 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.033 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.1 t-20 -89.94 114.84 26.73 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.434 -0.58 . . . . 15.0 109.434 177.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -78.16 -0.3 27.79 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.545 0.572 . . . . 15.0 112.545 -174.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -98.25 -47.38 5.47 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.785 -0.366 . . . . 15.0 110.994 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 44.7 p -103.98 0.89 30.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.588 -0.278 . . . . 15.0 111.411 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.0 mp 62.12 36.07 15.38 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.021 -0.536 . . . . 15.0 110.187 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -89.92 140.31 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.232 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -127.78 122.07 31.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.488 -0.324 . . . . 15.0 110.226 -177.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.0 t -136.33 138.43 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.769 0.318 . . . . 15.0 110.897 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.629 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 89.9 m95 -89.78 -5.41 56.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.24 0.543 . . . . 15.0 109.816 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.73 137.26 51.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.118 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.427 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 37.4 ttmt -58.46 122.52 60.73 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.882 -0.599 . . . . 15.0 112.099 -177.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.78 160.5 49.35 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.448 2.765 . . . . 15.0 112.207 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -56.85 -27.72 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.997 -1.002 . . . . 15.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -70.11 -13.94 62.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.62 . . . . 15.0 111.396 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.1 mp -124.83 12.05 8.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.014 0.435 . . . . 15.0 110.028 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.425 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 11.3 ttpp . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.788 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.6 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 5.1 tp10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.49 0.662 . . . . 15.0 109.627 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 93.2 m95 -92.01 126.65 37.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.181 -0.918 . . . . 15.0 110.412 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.7 p -103.35 123.75 47.4 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.9 -0.408 . . . . 15.0 109.9 172.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -89.81 116.87 28.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.864 0.364 . . . . 15.0 110.741 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -119.18 108.06 14.21 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.133 0.492 . . . . 15.0 110.33 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . 0.703 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 5.0 ttmp? -96.92 112.79 24.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.641 -0.709 . . . . 15.0 109.593 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.7 t -101.47 149.92 23.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.825 0.345 . . . . 15.0 111.085 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.88 -5.98 3.36 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.581 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.0 -14.91 61.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.386 0.612 . . . . 15.0 109.889 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 97.44 19.28 25.88 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.686 -0.688 . . . . 15.0 111.676 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -129.85 143.74 50.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.815 0.34 . . . . 15.0 110.583 -173.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.7 m -121.27 102.46 8.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.438 -0.579 . . . . 15.0 109.438 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.58 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 21.0 p90 -110.38 132.61 54.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.551 0.691 . . . . 15.0 110.842 -176.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . 0.422 ' CE2' HD22 ' A' ' 463' ' ' LEU . 85.7 m-85 -91.69 120.89 32.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.634 -1.167 . . . . 15.0 110.146 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -98.95 118.31 35.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.009 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.721 ' OD1' ' HG3' ' A' ' 451' ' ' ARG . 26.4 t-20 -89.96 122.33 32.89 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.394 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . 0.506 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 20.1 m120 -92.21 -13.38 30.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.76 0.652 . . . . 15.0 112.76 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.721 ' HG3' ' OD1' ' A' ' 449' ' ' ASN . 0.2 OUTLIER -77.82 -13.28 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.233 -0.587 . . . . 15.0 110.306 -175.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' THR . . . . . 0.511 HG23 ' HD3' ' A' ' 451' ' ' ARG . 10.7 p -142.26 -88.72 0.14 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.128 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.6 tt 172.48 86.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.635 -1.246 . . . . 15.0 107.635 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 13.1 tp10 -134.75 126.25 28.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.679 -173.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.0 p -108.37 102.05 11.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.09 0.472 . . . . 15.0 109.91 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' THR . . . . . 0.448 HG21 ' O ' ' A' ' 458' ' ' GLU . 21.7 m -107.68 125.67 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.758 -174.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.58 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 98.5 m95 -93.83 -4.22 50.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 15.0 111.95 -173.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . 0.448 ' O ' HG21 ' A' ' 456' ' ' THR . 0.9 OUTLIER -123.36 148.18 46.3 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.039 -1.097 . . . . 15.0 108.039 175.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 44.5 mtpt -58.67 119.22 34.98 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.945 0.402 . . . . 15.0 111.352 -174.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.4 Cg_endo -58.33 154.53 40.38 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.267 2.644 . . . . 15.0 111.694 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -61.59 -9.35 5.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.775 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . 0.444 ' C ' HD11 ' A' ' 463' ' ' LEU . 30.9 mt-10 -88.78 -15.61 34.2 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.671 0.249 . . . . 15.0 111.671 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.444 HD11 ' C ' ' A' ' 462' ' ' GLU . 7.7 mp -130.09 -2.13 4.58 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.693 -0.231 . . . . 15.0 111.43 -176.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 49.9 tttp . . . . . 0 C--O 1.254 1.332 0 CA-C-O 118.431 -0.795 . . . . 15.0 111.885 -171.394 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' GLU . . . . . 0.636 ' HG2' ' CB ' ' A' ' 451' ' ' ARG . 5.6 tp10 . . . . . 0 N--CA 1.467 0.42 0 CA-C-O 120.845 0.355 . . . . 15.0 111.408 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.7 m95 -89.81 113.06 24.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.107 0.479 . . . . 15.0 110.994 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.3 m -109.14 115.96 31.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.201 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -89.9 131.81 35.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.286 0.565 . . . . 15.0 110.774 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -120.57 116.41 25.32 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.089 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -90.01 115.89 27.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.759 -0.655 . . . . 15.0 109.93 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.5 t -90.02 146.83 24.06 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 176.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.96 -8.44 22.64 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.555 -175.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.27 -23.23 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.406 173.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 104.67 30.4 4.93 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.743 -0.741 . . . . 15.0 112.027 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -132.05 138.44 48.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.859 0.361 . . . . 15.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.5 m -114.3 100.22 8.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.081 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' TYR . . . . . 0.509 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 55.9 p90 -99.37 139.92 34.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.266 0.555 . . . . 15.0 110.427 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -97.54 118.57 34.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.567 -0.742 . . . . 15.0 110.189 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -104.73 119.91 40.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.195 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' ASN . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 14.5 t-20 -89.97 116.59 28.13 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -78.81 -14.85 59.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.437 -0.347 . . . . 15.0 111.783 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ARG . . . . . 0.636 ' CB ' ' HG2' ' A' ' 434' ' ' GLU . 31.3 ttp180 -92.96 -29.45 15.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 15.0 111.399 -176.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 39.6 p -110.36 -4.83 15.42 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.781 -0.368 . . . . 15.0 111.387 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 11.2 mp 63.59 24.1 13.85 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.976 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -92.45 119.76 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.837 -0.62 . . . . 15.0 111.235 -174.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -105.96 117.32 33.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.707 -0.479 . . . . 15.0 109.707 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.5 t -121.4 148.38 44.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.154 -0.476 . . . . 15.0 110.787 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' TRP . . . . . 0.509 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.4 m95 -93.9 -1.24 55.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 15.0 109.62 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -101.82 151.46 22.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.196 -0.911 . . . . 15.0 110.027 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -80.19 118.44 72.43 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.864 -0.421 . . . . 15.0 109.864 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.522 ' HD2' HD21 ' A' ' 463' ' ' LEU . 32.4 Cg_exo -59.28 156.33 35.84 Favored 'Trans proline' 0 CA--C 1.52 -0.219 0 C-N-CA 123.492 2.795 . . . . 15.0 112.095 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -60.78 -17.67 50.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.593 -0.731 . . . . 15.0 111.36 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -73.01 -24.78 60.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.532 -0.304 . . . . 15.0 111.048 176.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' LEU . . . . . 0.522 HD21 ' HD2' ' A' ' 460' ' ' PRO . 2.5 mm? -109.84 -26.15 9.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.564 0.221 . . . . 15.0 111.186 -177.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' LYS . . . . . 0.437 ' HE2' ' C ' ' A' ' 464' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.563 -0.732 . . . . 15.0 109.982 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.503 -0.554 . . . . 15.0 109.503 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.3 p -70.2 93.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.257 0.551 . . . . 15.0 110.983 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.665 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -80.72 24.94 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.027 179.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -89.9 104.5 17.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.136 0.493 . . . . 15.0 110.148 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.7 p -102.64 123.54 46.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.435 -0.802 . . . . 15.0 109.697 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -90.25 115.7 27.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.424 0.631 . . . . 15.0 110.712 -178.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.405 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 79.2 ttt180 -101.82 112.88 25.65 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.416 -0.811 . . . . 15.0 109.676 177.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.55 ' HG2' HG23 ' A' ' 445' ' ' THR . 75.3 mttt -92.29 104.8 17.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.388 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 444' ' ' LYS . 11.0 t -90.07 149.21 22.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.753 -174.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.98 -12.19 47.2 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.803 -0.635 . . . . 15.0 111.228 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.53 -12.57 45.92 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.742 -0.663 . . . . 15.0 110.215 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.9 26.66 10.22 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.872 -0.604 . . . . 15.0 112.134 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.491 ' O ' HG23 ' A' ' 440' ' ' THR . 61.8 mttp -136.56 140.34 42.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.953 0.406 . . . . 15.0 110.882 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.55 HG23 ' HG2' ' A' ' 439' ' ' LYS . 41.1 m -115.24 100.26 8.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.964 -0.562 . . . . 15.0 109.955 176.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.454 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 25.4 p90 -101.27 139.35 37.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.164 0.507 . . . . 15.0 109.862 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.563 ' CE1' ' HB3' ' A' ' 459' ' ' LYS . 83.5 m-85 -94.27 116.04 28.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.784 -0.644 . . . . 15.0 110.248 -176.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.481 ' HH ' HD11 ' A' ' 453' ' ' LEU . 63.8 t80 -108.09 121.05 44.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.209 -0.905 . . . . 15.0 110.18 -175.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.461 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.0 t-20 -90.2 114.22 26.16 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.382 -0.599 . . . . 15.0 109.382 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.6 -1.57 38.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 15.0 111.164 -173.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.665 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 16.8 tpp180 -96.13 -51.42 4.43 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.069 -0.252 . . . . 15.0 110.683 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.3 p -95.6 -3.43 46.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.562 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.481 HD11 ' HH ' ' A' ' 448' ' ' TYR . 3.3 mm? 66.12 30.91 9.16 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.281 0.562 . . . . 15.0 110.14 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -89.68 129.27 36.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.61 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.4 p -123.83 113.14 18.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.872 0.368 . . . . 15.0 110.284 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -131.02 149.98 52.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.85 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 88.3 m95 -94.83 3.17 55.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.398 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -124.35 126.9 46.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.8 -0.636 . . . . 15.0 109.533 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.784 ' H ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -70.71 127.78 91.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 121.156 0.503 . . . . 15.0 111.763 -175.051 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -51.08 165.18 0.53 Allowed 'Trans proline' 0 N--CA 1.475 0.436 0 C-N-CA 124.233 3.288 . . . . 15.0 113.172 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.07 -23.5 7.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.921 -1.036 . . . . 15.0 111.666 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.33 -22.86 67.14 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.344 0.592 . . . . 15.0 110.641 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.602 ' HB2' ' HB2' ' A' ' 459' ' ' LYS . 62.0 mt -119.52 -73.3 0.65 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.496 -0.775 . . . . 15.0 109.675 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.546 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.243 0.727 0 O-C-N 123.94 0.775 . . . . 15.0 111.248 175.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 29.4 m . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 59.1 m -53.96 104.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 170.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.492 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 2.0 mt-10 -130.5 52.24 2.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.3 -169.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -90.08 119.66 30.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.184 -0.916 . . . . 15.0 110.464 -176.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 15.4 t -95.91 135.57 37.49 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.152 -0.685 . . . . 15.0 109.152 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -89.78 102.43 15.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.859 0.837 . . . . 15.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -97.22 113.75 25.39 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.198 -0.91 . . . . 15.0 109.775 177.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -89.84 106.23 18.33 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.11 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 m -91.77 136.14 33.37 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.856 -1.065 . . . . 15.0 110.683 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.29 2.6 1.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.106 0.41 . . . . 15.0 112.106 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.99 -1.16 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.481 0.658 . . . . 15.0 109.595 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 17.87 52.25 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.549 -0.75 . . . . 15.0 111.696 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -136.01 137.84 41.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.91 0.386 . . . . 15.0 110.417 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 29.0 m -104.6 99.72 9.39 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.291 -0.633 . . . . 15.0 109.291 174.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.441 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.9 p90 -90.07 131.36 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 -175.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -93.88 122.84 36.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.668 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.588 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 88.8 t80 -116.29 123.69 48.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.336 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.492 ' ND2' ' H ' ' A' ' 434' ' ' GLU . 22.3 t-20 -89.76 111.16 22.08 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.441 -0.948 . . . . 15.0 108.441 176.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.12 -13.93 61.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.151 -0.477 . . . . 15.0 111.444 -173.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 451' ' ' ARG . 8.8 tpt180 -84.55 -49.54 8.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.405 -0.362 . . . . 15.0 111.205 -177.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.3 p -102.01 0.23 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.702 0.26 . . . . 15.0 111.702 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.5 mp 65.12 28.22 12.28 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.147 -0.478 . . . . 15.0 111.18 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -89.73 119.77 30.42 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.91 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.588 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 3.5 p -116.49 124.04 48.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.738 0.304 . . . . 15.0 110.734 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.4 t -135.34 147.26 49.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.493 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.441 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.2 m95 -95.86 -12.23 25.54 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.191 0.519 . . . . 15.0 110.024 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -97.34 146.49 25.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.745 -0.835 . . . . 15.0 108.745 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -66.08 122.52 81.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 123.226 0.329 . . . . 15.0 111.133 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -58.3 153.55 46.23 Favored 'Trans proline' 0 CA--C 1.514 -0.502 0 C-N-CA 122.71 2.273 . . . . 15.0 110.31 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -56.65 -27.22 58.1 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 123.356 0.41 . . . . 15.0 111.929 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.42 -11.09 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 15.0 111.485 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 75.5 mt -134.77 12.88 3.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.009 -0.541 . . . . 15.0 111.407 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 49.3 tptt . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.949 -0.548 . . . . 15.0 111.043 -174.006 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.884 0.373 . . . . 15.0 111.057 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 58.6 m -77.02 124.83 28.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.191 -0.459 . . . . 15.0 111.095 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.742 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 7.8 tp10 -108.08 13.35 26.07 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.069 -0.715 . . . . 15.0 109.069 172.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -89.74 112.55 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.731 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.2 p -98.16 146.73 25.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.579 -0.282 . . . . 15.0 111.084 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -89.62 120.19 30.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.149 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.428 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 69.6 ttt180 -126.5 105.2 8.58 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.717 -0.393 . . . . 15.0 110.939 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.775 ' HG2' HG22 ' A' ' 445' ' ' THR . 9.9 mtmp? -97.41 107.08 19.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.1 t -91.5 150.23 21.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.705 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.18 -4.66 1.2 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.609 0.596 . . . . 15.0 112.609 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -79.18 2.41 21.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.569 0.699 . . . . 15.0 109.716 175.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.27 30.25 38.03 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.645 -0.707 . . . . 15.0 112.242 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -134.26 136.3 43.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.234 0.54 . . . . 15.0 111.169 -175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.775 HG22 ' HG2' ' A' ' 439' ' ' LYS . 13.1 m -112.83 102.85 10.84 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.031 -0.986 . . . . 15.0 109.411 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.428 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 12.8 p90 -119.92 150.14 40.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.977 0.418 . . . . 15.0 110.673 -175.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -101.38 125.77 48.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.608 -0.724 . . . . 15.0 111.176 -175.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -115.46 122.03 44.52 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.389 -0.823 . . . . 15.0 110.002 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -90.01 117.32 28.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.202 -0.666 . . . . 15.0 109.202 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -81.02 -0.11 38.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.559 -173.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.742 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 12.5 ttm180 -108.86 -28.03 9.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.819 0.342 . . . . 15.0 111.192 -177.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 70.9 p -112.65 -2.6 14.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.827 0.346 . . . . 15.0 110.898 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.5 mp 60.86 34.35 19.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.227 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -96.92 117.32 30.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.375 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.0 p -102.71 109.76 21.46 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.9 t -123.99 149.96 45.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.787 0.327 . . . . 15.0 110.647 -176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -96.39 -1.09 48.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.075 0.464 . . . . 15.0 110.87 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -106.48 139.01 41.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 15.0 110.037 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.635 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 21.8 ttmm -68.98 120.23 74.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 110.357 -0.238 . . . . 15.0 110.357 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.0 Cg_exo -67.38 154.25 74.46 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.947 2.431 . . . . 15.0 112.105 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -63.48 -14.88 55.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.596 -0.729 . . . . 15.0 112.214 -176.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.11 -9.36 53.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.281 -0.262 . . . . 15.0 111.527 -177.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 34.4 mt -126.44 11.82 7.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 15.0 110.93 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.635 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.6 ttpm? . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.597 -0.716 . . . . 15.0 110.192 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.998 0.428 . . . . 15.0 110.831 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 28.3 m -141.92 123.81 15.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.058 -0.519 . . . . 15.0 109.999 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.631 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 4.0 tp10 -98.53 24.84 6.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.881 0.372 . . . . 15.0 110.438 -177.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -90.17 123.19 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.062 0.458 . . . . 15.0 111.312 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.3 m -121.66 125.63 47.12 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.161 -0.681 . . . . 15.0 109.161 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.485 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.6 pt-20 -89.79 125.74 35.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.732 0.777 . . . . 15.0 110.577 -177.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.421 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 48.7 ttt180 -113.85 113.58 25.09 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.003 -0.999 . . . . 15.0 109.979 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.469 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 46.4 mttm -93.2 110.44 21.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.905 -0.589 . . . . 15.0 109.565 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.8 t -90.08 150.3 22.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.885 -0.598 . . . . 15.0 110.607 -176.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.68 -9.56 9.53 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.065 -175.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -65.36 -22.86 66.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.405 0.622 . . . . 15.0 110.323 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.31 35.83 3.77 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.81 -0.71 . . . . 15.0 112.032 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -142.32 141.36 32.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.015 0.436 . . . . 15.0 110.575 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.469 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 3.6 t -116.66 112.14 20.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.0 178.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.421 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 36.0 p90 -112.89 148.1 35.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.448 . . . . 15.0 110.558 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.55 ' CE2' ' HG ' ' A' ' 463' ' ' LEU . 62.4 m-85 -95.5 118.93 33.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -107.58 115.98 31.13 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.435 -0.802 . . . . 15.0 110.406 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.457 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 17.6 t-20 -90.04 111.34 22.42 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.867 -0.79 . . . . 15.0 108.867 175.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -74.24 -13.83 60.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.838 0.351 . . . . 15.0 111.517 -174.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.631 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 44.9 ttt180 -87.83 -29.62 20.8 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.158 -0.217 . . . . 15.0 111.365 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.6 p -114.75 -6.45 12.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.651 0.241 . . . . 15.0 111.651 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 87.0 mt 67.86 23.39 8.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.178 0.514 . . . . 15.0 110.179 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -90.02 132.8 35.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.933 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 30.2 p -120.02 113.44 20.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.786 0.327 . . . . 15.0 110.437 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.497 ' HB ' ' OE2' ' A' ' 458' ' ' GLU . 73.2 p -110.85 147.11 35.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.543 -0.299 . . . . 15.0 110.491 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -93.02 -3.79 53.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.448 0.642 . . . . 15.0 109.914 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.497 ' OE2' ' HB ' ' A' ' 456' ' ' THR . 0.8 OUTLIER -124.83 145.31 49.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.006 -0.997 . . . . 15.0 109.547 177.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.503 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -71.4 119.29 72.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.895 0.378 . . . . 15.0 110.969 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.833 ' HD2' HD22 ' A' ' 463' ' ' LEU . 52.5 Cg_exo -57.52 161.77 11.42 Favored 'Trans proline' 0 CA--C 1.517 -0.329 0 C-N-CA 122.749 2.3 . . . . 15.0 111.243 170.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -51.04 -24.32 3.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.207 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.62 -17.28 61.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.682 0.277 . . . . 15.0 111.432 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.833 HD22 ' HD2' ' A' ' 460' ' ' PRO . 1.0 OUTLIER -121.88 8.82 9.95 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.4 tmtp? . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.42 -0.8 . . . . 15.0 109.797 -174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.7 0.286 . . . . 15.0 110.554 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.5 p -152.3 126.88 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.218 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.49 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 6.3 tp10 -146.85 25.15 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.408 0.623 . . . . 15.0 109.917 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 81.5 m95 -97.4 120.75 38.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.307 -179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 26.6 m -90.09 109.7 20.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.986 -0.552 . . . . 15.0 109.676 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -89.98 123.38 33.84 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.608 -0.724 . . . . 15.0 109.769 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.467 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 66.7 ttt180 -147.23 134.26 20.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.197 -0.456 . . . . 15.0 110.82 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 3.3 mppt? -89.66 127.39 35.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.052 0.453 . . . . 15.0 110.367 175.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.14 148.75 22.79 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.277 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.06 -18.19 22.93 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.296 0.48 . . . . 15.0 112.296 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.27 -6.32 49.22 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.18 0.514 . . . . 15.0 111.043 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.01 41.74 6.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.825 -0.702 . . . . 15.0 111.658 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm -126.28 143.52 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.409 -0.219 . . . . 15.0 110.409 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.1 m -111.32 101.36 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.466 -0.568 . . . . 15.0 109.466 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.467 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 18.8 p90 -109.59 137.81 46.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.124 0.488 . . . . 15.0 110.161 -176.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.423 ' OH ' ' HE3' ' A' ' 459' ' ' LYS . 79.5 m-85 -103.03 114.37 28.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.752 -0.658 . . . . 15.0 110.502 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -97.22 107.2 19.67 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -89.96 129.16 36.34 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.831 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -99.96 -2.05 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.652 0.612 . . . . 15.0 112.652 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.49 ' HB3' ' HG2' ' A' ' 434' ' ' GLU . 4.3 ptm180 -96.82 -24.42 15.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 120.178 -0.609 . . . . 15.0 111.459 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 36.3 p -126.96 -3.98 6.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.524 0.202 . . . . 15.0 110.966 176.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 58.96 77.8 0.29 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.521 0.677 . . . . 15.0 111.314 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -150.09 134.88 17.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.89 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 27.9 t -110.38 111.11 22.17 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.492 -0.559 . . . . 15.0 109.492 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 48.5 p -104.82 149.97 25.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.128 -176.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -105.36 -5.4 20.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.068 -0.715 . . . . 15.0 109.068 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -97.02 149.58 21.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.047 -0.979 . . . . 15.0 109.709 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 3.6 tmtp? -76.81 111.07 13.86 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.653 -0.499 . . . . 15.0 109.653 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.0 Cg_exo -68.88 141.0 47.57 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.121 2.547 . . . . 15.0 111.83 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.835 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 10.1 tt0 -66.63 -17.9 65.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.107 0.479 . . . . 15.0 111.114 -178.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -68.37 -14.98 63.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.258 0.551 . . . . 15.0 110.438 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.449 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 8.7 mp -128.33 11.82 6.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.228 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.835 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 38.1 ttpt . . . . . 0 C--O 1.248 1.014 0 O-C-N 123.884 0.74 . . . . 15.0 112.619 -170.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 110.008 -0.367 . . . . 15.0 110.008 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.0 p 54.74 103.86 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.01 0.924 . . . . 15.0 112.29 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER -80.28 18.86 0.82 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.418 -0.81 . . . . 15.0 111.953 -175.562 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.505 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 97.5 m95 -89.74 116.96 28.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.675 0.274 . . . . 15.0 110.3 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.7 t -121.94 136.38 54.92 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.439 -0.578 . . . . 15.0 109.439 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -90.0 107.94 19.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.997 0.904 . . . . 15.0 110.247 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.583 ' HD2' ' CE2' ' A' ' 446' ' ' TYR . 0.7 OUTLIER -90.06 125.71 35.51 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.723 -1.126 . . . . 15.0 109.007 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -89.79 118.15 29.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.367 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.2 m -89.91 131.51 35.79 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.373 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.32 -5.85 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.317 0.488 . . . . 15.0 112.317 -173.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -80.55 -9.63 59.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.024 0.44 . . . . 15.0 110.683 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.16 36.44 3.63 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.829 -0.701 . . . . 15.0 112.508 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.474 ' HE2' ' HB3' ' A' ' 444' ' ' LYS . 6.6 ptpt -150.26 150.08 31.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.132 -0.321 . . . . 15.0 110.132 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.9 t -113.64 139.55 48.94 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.137 -0.32 . . . . 15.0 110.137 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.583 ' CE2' ' HD2' ' A' ' 438' ' ' ARG . 23.0 p90 -129.72 138.45 51.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.826 -0.435 . . . . 15.0 109.826 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 455' ' ' SER . 29.6 m-85 -90.13 124.14 34.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.071 0.462 . . . . 15.0 111.284 -176.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -112.98 125.91 54.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.452 -0.794 . . . . 15.0 109.845 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.514 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.6 t-20 -107.55 119.17 38.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.147 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -72.31 -15.36 61.89 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.403 0.439 . . . . 15.0 111.836 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.498 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 51.7 ttp180 -83.82 -42.01 16.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.637 0.256 . . . . 15.0 111.342 -177.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.595 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.1 t -105.85 -4.28 20.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.556 -0.293 . . . . 15.0 110.885 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.9 mp 62.32 32.72 16.89 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.824 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.595 ' HB2' HG23 ' A' ' 452' ' ' THR . 4.8 mm-40 -105.78 134.97 48.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.63 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 22.8 p -119.73 112.07 18.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.247 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.2 t -128.18 150.08 50.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.937 0.399 . . . . 15.0 111.012 -173.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.56 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 89.0 m95 -93.19 -3.64 53.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.987 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -114.88 140.42 48.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.425 -0.583 . . . . 15.0 109.425 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -69.55 119.14 68.91 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.999 0.428 . . . . 15.0 111.244 -176.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.486 ' HD2' HD21 ' A' ' 463' ' ' LEU . 37.1 Cg_exo -62.82 160.51 32.83 Favored 'Trans proline' 0 CA--C 1.517 -0.353 0 C-N-CA 123.554 2.836 . . . . 15.0 112.086 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -62.93 -10.49 13.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.298 -0.864 . . . . 15.0 111.575 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.67 -11.51 55.75 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.117 -0.364 . . . . 15.0 110.847 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.486 HD21 ' HD2' ' A' ' 460' ' ' PRO . 3.0 mm? -119.32 -13.06 9.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.1 0.476 . . . . 15.0 110.243 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.253 -0.879 . . . . 15.0 110.239 -176.807 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.326 0.584 . . . . 15.0 110.423 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.0 m -125.22 111.02 14.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.034 0.445 . . . . 15.0 111.549 -175.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.553 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -138.02 22.15 2.83 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.043 -1.095 . . . . 15.0 108.043 170.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -95.29 127.57 41.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.338 -1.301 . . . . 15.0 110.426 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 12.7 t -109.15 135.37 50.39 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.901 -0.778 . . . . 15.0 108.901 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.83 112.61 24.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.652 0.739 . . . . 15.0 110.582 -176.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -108.83 119.38 39.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.378 -0.828 . . . . 15.0 110.176 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 445' ' ' THR . 20.8 ptmt -97.31 120.05 36.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.451 0.643 . . . . 15.0 110.389 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 15.1 t -90.12 150.52 22.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.221 -0.9 . . . . 15.0 109.628 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.97 -11.85 3.88 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.639 0.607 . . . . 15.0 112.639 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.62 -12.47 61.67 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.185 0.517 . . . . 15.0 110.629 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 95.0 26.94 11.6 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.007 -0.616 . . . . 15.0 111.812 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -126.55 130.76 51.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.832 0.348 . . . . 15.0 110.409 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.463 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 77.9 m -103.64 109.83 21.67 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.509 -0.552 . . . . 15.0 109.509 177.267 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.549 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 45.2 p90 -108.89 138.63 44.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.215 -0.448 . . . . 15.0 109.854 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -93.0 122.91 35.85 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.557 -176.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -109.68 117.83 34.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.358 -0.837 . . . . 15.0 110.803 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -96.37 118.35 32.73 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.931 -0.766 . . . . 15.0 108.931 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -93.47 -7.6 43.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.152 0.501 . . . . 15.0 111.007 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.553 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 6.6 tpp180 -84.93 -35.15 22.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.954 0.407 . . . . 15.0 110.841 -178.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -113.65 -9.74 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.148 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 48.8 tp 64.77 82.83 0.18 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.486 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -146.19 135.17 22.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.262 -0.881 . . . . 15.0 110.053 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.6 p -130.81 113.11 13.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.935 -0.394 . . . . 15.0 109.935 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.5 t -128.79 149.88 50.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.473 -0.33 . . . . 15.0 110.686 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.549 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.3 m95 -90.28 -4.25 57.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.159 0.504 . . . . 15.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -98.84 139.13 34.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.078 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.432 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 41.0 ttmt -65.65 125.94 90.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.249 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 38.5 Cg_exo -61.18 143.52 98.6 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.897 2.398 . . . . 15.0 112.21 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -54.36 -29.13 47.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.44 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.53 -9.54 58.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.003 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.62 8.06 5.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.182 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.498 -0.763 . . . . 15.0 110.522 -177.497 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.2 m 77.08 110.18 0.07 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.556 0.742 . . . . 15.0 111.003 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.554 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.9 OUTLIER -131.41 93.32 3.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.424 -0.807 . . . . 15.0 108.971 -179.222 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -133.87 109.15 8.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.09 0.471 . . . . 15.0 111.138 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 21.5 m -103.02 131.2 50.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.0 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -89.81 128.22 36.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.208 0.528 . . . . 15.0 110.112 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -120.28 113.66 20.72 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.813 -0.631 . . . . 15.0 109.914 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -103.98 107.93 19.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.969 -0.559 . . . . 15.0 109.608 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.9 t -89.95 150.0 22.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.251 -0.431 . . . . 15.0 110.562 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.08 -5.22 12.31 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.39 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.15 -9.92 59.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.375 0.607 . . . . 15.0 110.001 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.78 31.78 8.0 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.852 -0.613 . . . . 15.0 112.38 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -133.6 138.09 45.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.05 0.452 . . . . 15.0 110.735 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.3 m -113.69 108.11 16.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.607 -0.724 . . . . 15.0 109.745 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.584 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 49.3 p90 -118.52 140.99 49.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.103 0.478 . . . . 15.0 110.734 -177.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.411 ' OH ' ' HD3' ' A' ' 459' ' ' LYS . 23.7 m-85 -97.98 128.11 44.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.427 0.632 . . . . 15.0 110.84 -176.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -116.59 118.79 33.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.812 -1.086 . . . . 15.0 110.789 -174.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -93.27 117.71 30.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.311 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -97.6 -5.71 34.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.219 0.533 . . . . 15.0 110.621 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.554 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 22.5 tpt180 -78.53 -39.57 37.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.692 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.2 p -122.24 -4.21 8.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 15.0 111.555 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 65.3 80.4 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.575 0.702 . . . . 15.0 110.5 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -145.2 120.07 9.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.078 -0.964 . . . . 15.0 109.792 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.5 t -114.57 126.53 55.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.906 0.384 . . . . 15.0 110.209 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.0 t -128.24 144.36 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.55 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.584 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 90.6 m95 -90.64 -4.81 56.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.202 0.525 . . . . 15.0 110.187 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -109.23 118.51 36.91 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.706 -0.849 . . . . 15.0 108.706 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.785 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 32.8 ttpt -60.57 123.05 72.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 15.0 111.624 -175.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -52.46 141.77 50.42 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.975 2.45 . . . . 15.0 112.28 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -58.83 -22.55 59.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 15.0 111.745 -175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -70.47 -19.15 62.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.179 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.467 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 6.1 mp -125.32 4.33 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.546 -0.297 . . . . 15.0 110.629 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.785 ' HA ' ' HE3' ' A' ' 459' ' ' LYS . 31.8 ttmt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.59 -0.719 . . . . 15.0 111.486 -172.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.176 0.512 . . . . 15.0 110.101 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.8 m -108.65 115.56 30.32 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.189 -0.46 . . . . 15.0 110.981 -174.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.624 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 5.0 tt0 -137.16 62.49 1.59 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.205 -1.035 . . . . 15.0 108.205 173.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -90.17 110.4 21.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.537 -0.756 . . . . 15.0 111.783 -168.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 44.1 m -92.91 113.4 25.67 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.005 -0.998 . . . . 15.0 108.907 171.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -91.64 120.83 32.75 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.056 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.45 HH11 ' HD2' ' A' ' 438' ' ' ARG . 17.1 ttp180 -133.03 144.08 49.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.134 0.493 . . . . 15.0 110.281 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -89.95 125.85 35.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.798 -0.637 . . . . 15.0 110.283 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.422 HG23 ' H ' ' A' ' 442' ' ' ASP . 94.4 m -90.05 139.42 30.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.412 -0.813 . . . . 15.0 109.191 176.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.65 -14.89 23.34 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.675 0.62 . . . . 15.0 112.675 -172.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.548 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 30.8 t70 -73.24 -16.8 61.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.104 0.478 . . . . 15.0 110.61 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.54 27.86 6.6 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.807 -0.711 . . . . 15.0 111.668 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.548 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 66.3 mttm -121.64 135.41 54.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.859 0.361 . . . . 15.0 110.487 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.2 m -97.48 113.63 25.35 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.718 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -110.65 139.23 46.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.735 -0.469 . . . . 15.0 109.735 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -100.33 112.57 24.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.76 -0.654 . . . . 15.0 109.94 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -103.99 116.37 32.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.492 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.624 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 39.8 t-20 -89.61 112.42 23.63 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.477 -0.934 . . . . 15.0 108.477 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -71.63 -25.43 62.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.411 -0.813 . . . . 15.0 112.095 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.465 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 22.4 ttm180 -77.85 -35.73 50.76 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.95 -0.3 . . . . 15.0 111.356 -175.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.3 p -109.44 -8.26 15.06 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.895 -0.322 . . . . 15.0 111.809 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.5 mp 69.77 22.28 6.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.273 0.629 . . . . 15.0 110.616 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.41 122.11 32.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.796 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.0 m -106.66 113.34 26.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.465 -0.334 . . . . 15.0 110.291 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 53.3 p -104.55 136.89 43.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.021 0.438 . . . . 15.0 110.626 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -98.88 0.69 44.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.317 0.58 . . . . 15.0 109.583 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -121.58 146.63 46.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.191 -0.913 . . . . 15.0 109.783 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 41.4 mttm -57.53 129.02 80.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 113.026 0.75 . . . . 15.0 113.026 -175.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 18.4 Cg_exo -69.01 147.64 68.12 Favored 'Trans proline' 0 C--O 1.238 0.523 0 C-N-CA 123.283 2.655 . . . . 15.0 111.573 175.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -70.85 -18.12 62.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.212 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -78.46 -8.98 59.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.955 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 7.4 mp -117.79 -65.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.994 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.306 -0.854 . . . . 15.0 110.081 -176.22 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 121.53 0.681 . . . . 15.0 110.584 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.3 m -99.59 101.5 12.73 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.819 -0.628 . . . . 15.0 111.533 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.647 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 5.4 tp10 -135.08 16.88 3.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.864 -1.162 . . . . 15.0 107.864 170.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -89.89 127.95 36.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.793 -1.094 . . . . 15.0 110.511 -173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.9 p -109.97 139.94 44.52 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.606 -0.724 . . . . 15.0 109.613 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -99.72 124.3 44.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.216 0.531 . . . . 15.0 110.195 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -122.56 112.49 18.07 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.201 -0.454 . . . . 15.0 110.339 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -90.12 111.9 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.736 -0.666 . . . . 15.0 109.424 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 444' ' ' LYS . 13.5 t -102.15 150.02 23.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.48 -0.327 . . . . 15.0 110.163 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.65 3.36 3.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.03 0.443 . . . . 15.0 111.739 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.51 -4.15 44.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.513 0.673 . . . . 15.0 109.359 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 31.87 10.51 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.387 -0.824 . . . . 15.0 112.338 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 440' ' ' THR . 77.0 mttt -144.85 138.31 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.309 0.576 . . . . 15.0 111.293 -174.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 37.0 m -113.19 101.72 9.69 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.392 -0.822 . . . . 15.0 109.391 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.455 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 49.9 p90 -101.43 142.91 32.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.966 0.412 . . . . 15.0 110.606 -176.031 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -100.78 123.23 44.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.422 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.643 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 81.7 t80 -111.07 120.71 43.25 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.744 -0.662 . . . . 15.0 110.657 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.512 ' OD1' ' HB3' ' A' ' 434' ' ' GLU . 42.8 t-20 -89.82 114.97 26.78 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.158 -0.682 . . . . 15.0 109.158 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -74.13 -19.85 60.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.092 -0.504 . . . . 15.0 111.637 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.647 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 17.2 ttm180 -88.66 -30.15 19.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.702 0.287 . . . . 15.0 111.476 -173.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 31.1 p -113.66 -1.16 14.09 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.951 -0.3 . . . . 15.0 111.173 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.8 mp 64.81 22.44 12.53 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.758 -0.655 . . . . 15.0 111.11 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -92.76 111.49 23.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.4 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.643 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 7.2 p -101.06 120.68 40.55 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.01 -0.541 . . . . 15.0 109.897 175.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -129.44 150.21 50.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.279 0.561 . . . . 15.0 111.447 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.455 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.6 m95 -90.1 1.53 56.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.826 178.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -107.21 135.68 48.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.866 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 37.5 ttpt -72.15 119.99 77.8 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.914 0.387 . . . . 15.0 110.616 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 22.7 Cg_exo -67.01 152.9 79.47 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 123.485 2.79 . . . . 15.0 111.904 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.71 -15.36 52.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.52 -178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.74 -21.91 65.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.015 0.436 . . . . 15.0 110.532 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.424 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 3.3 mm? -123.57 24.95 8.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.666 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.089 -0.959 . . . . 15.0 112.317 -175.198 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.801 0.334 . . . . 15.0 110.105 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.7 p -74.74 108.17 7.31 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.122 -0.695 . . . . 15.0 109.122 172.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.948 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 1.2 mp0 -77.38 12.41 1.55 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.651 -0.249 . . . . 15.0 111.251 -175.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.428 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 81.6 m95 -89.65 110.1 21.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.372 -0.377 . . . . 15.0 110.484 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.1 m -104.46 110.3 22.52 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.479 -0.563 . . . . 15.0 109.479 175.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.537 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 1.8 pp20? -90.32 149.26 22.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.389 0.614 . . . . 15.0 110.641 -178.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.446 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 61.5 ttt180 -139.22 120.17 14.46 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.34 -0.845 . . . . 15.0 110.135 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.475 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 41.2 mttp -89.94 108.8 19.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.898 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.447 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -94.18 150.34 20.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.442 -0.344 . . . . 15.0 110.204 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.53 -5.05 3.31 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.991 -0.55 . . . . 15.0 111.961 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.75 -5.84 36.93 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.43 0.633 . . . . 15.0 110.16 174.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.49 30.73 18.11 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.846 -0.693 . . . . 15.0 112.058 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.447 ' O ' HG22 ' A' ' 440' ' ' THR . 60.7 mttp -143.05 140.06 30.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.647 0.26 . . . . 15.0 110.305 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.475 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 9.9 t -110.23 129.78 55.66 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.768 -0.827 . . . . 15.0 108.768 168.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.563 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 41.1 p90 -116.54 130.89 57.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.22 0.533 . . . . 15.0 110.061 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.537 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 37.2 m-85 -89.94 106.14 18.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.331 -0.85 . . . . 15.0 109.313 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -101.92 114.33 28.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.194 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.428 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 21.6 t-20 -90.24 115.6 27.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.895 -0.593 . . . . 15.0 109.651 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -81.05 -0.69 40.9 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.562 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.948 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 69.0 ttt180 -95.38 -44.18 7.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.658 0.266 . . . . 15.0 111.045 -177.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 14.2 p -108.17 2.15 22.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.707 0.289 . . . . 15.0 111.332 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.6 mp 62.47 29.89 17.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.021 -0.536 . . . . 15.0 111.025 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.46 128.64 38.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.362 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.6 t -100.85 106.43 17.8 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 172.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 63.4 m -113.97 127.34 55.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.173 -0.922 . . . . 15.0 110.541 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.563 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.5 m95 -97.44 -2.39 42.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.458 -174.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -109.17 152.17 25.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.097 -0.502 . . . . 15.0 110.282 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -66.83 116.46 35.4 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.267 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.46 143.18 97.25 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.131 2.554 . . . . 15.0 112.01 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -74.56 -14.98 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.987 -174.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -70.21 -16.66 63.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.96 0.409 . . . . 15.0 110.331 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.55 -49.59 3.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.821 -0.437 . . . . 15.0 109.821 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.251 1.137 0 CA-C-N 115.389 -0.823 . . . . 15.0 111.14 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 110.268 -0.271 . . . . 15.0 110.268 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.0 p -78.0 115.41 17.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.976 0.417 . . . . 15.0 110.225 177.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.796 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -96.05 12.7 29.65 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.407 0.623 . . . . 15.0 109.754 -177.348 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -89.8 120.19 30.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.508 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.2 p -105.01 124.04 48.85 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.989 -0.374 . . . . 15.0 109.989 173.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -89.99 109.89 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -116.81 116.01 26.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.271 0.558 . . . . 15.0 110.454 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.517 ' HG2' HG22 ' A' ' 445' ' ' THR . 85.8 mttt -91.78 116.34 28.81 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.263 -0.88 . . . . 15.0 109.507 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 444' ' ' LYS . 10.2 t -89.63 146.73 24.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.346 -0.388 . . . . 15.0 110.429 -175.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.82 -11.55 13.15 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.8 0.687 . . . . 15.0 112.033 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.66 -21.47 66.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.184 0.516 . . . . 15.0 110.181 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 103.86 20.39 10.74 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.839 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.432 ' O ' HG23 ' A' ' 440' ' ' THR . 29.6 mtmm -121.27 141.69 50.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.399 0.619 . . . . 15.0 111.177 -177.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.517 HG22 ' HG2' ' A' ' 439' ' ' LYS . 20.9 m -112.55 105.23 13.39 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.2 -0.909 . . . . 15.0 109.692 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.534 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 54.2 p90 -112.94 142.53 45.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.334 0.587 . . . . 15.0 110.542 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.48 ' O ' ' HA ' ' A' ' 455' ' ' SER . 79.5 m-85 -103.49 114.85 29.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.535 -175.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -107.31 119.6 39.85 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.576 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -89.85 115.08 26.91 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.219 -1.03 . . . . 15.0 108.219 173.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -77.64 -12.6 59.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.232 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.796 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 4.5 tpp180 -95.44 -21.56 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.443 -0.344 . . . . 15.0 111.435 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.5 p -121.87 -2.03 9.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.76 0.314 . . . . 15.0 111.166 176.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.2 mp 63.54 28.21 15.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.581 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -110.67 136.39 49.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.882 0.372 . . . . 15.0 110.502 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.48 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 13.8 t -117.72 120.1 36.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.844 0.354 . . . . 15.0 110.547 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.482 ' HB ' ' OE2' ' A' ' 458' ' ' GLU . 62.2 p -106.23 148.36 28.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.213 -0.449 . . . . 15.0 109.949 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.534 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 94.6 m95 -98.34 4.56 48.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.343 0.592 . . . . 15.0 110.601 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.482 ' OE2' ' HB ' ' A' ' 456' ' ' THR . 0.0 OUTLIER -118.85 153.22 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.703 174.677 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.459 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 25.0 tttp -75.2 118.2 68.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.447 -0.342 . . . . 15.0 111.035 -174.141 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -60.16 140.16 90.9 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.082 2.521 . . . . 15.0 111.309 177.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.848 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 61.4 tt0 -66.19 -18.98 65.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 15.0 111.046 -177.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -68.93 -16.48 63.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.558 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.81 10.83 9.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 15.0 109.948 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.848 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 12.1 tmtt? . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.531 -0.759 . . . . 15.0 109.918 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 433' ' ' SER . 20.6 m . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.224 -0.288 . . . . 15.0 110.224 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' SER . . . . . 0.42 ' HB3' ' O ' ' A' ' 432' ' ' VAL . 46.9 t 75.09 100.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 O-C-N 124.372 1.045 . . . . 15.0 109.41 -175.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.747 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 10.1 tp10 -112.82 6.27 17.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.896 -173.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.54 ' HB2' HD12 ' A' ' 463' ' ' LEU . 95.0 m95 -93.46 111.27 22.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.347 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.5 t -103.99 128.85 51.56 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.566 -0.531 . . . . 15.0 109.566 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.599 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.7 pt-20 -98.53 122.78 42.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.094 0.474 . . . . 15.0 110.464 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -125.69 148.25 49.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.741 -0.663 . . . . 15.0 110.433 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -89.86 119.27 30.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 15.0 110.813 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 79.0 m -89.99 142.22 27.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.182 -0.673 . . . . 15.0 109.182 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.91 10.06 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.65 0.611 . . . . 15.0 112.65 -173.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.53 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 33.7 t70 -74.76 -10.62 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.283 0.563 . . . . 15.0 110.455 176.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 97.02 26.08 10.67 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.868 -0.605 . . . . 15.0 112.381 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.53 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 64.1 mttm -126.7 140.75 52.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.715 0.293 . . . . 15.0 110.51 -177.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 m -101.34 109.22 21.03 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.66 -0.496 . . . . 15.0 109.66 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 13.5 p90 -104.78 144.97 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.98 0.419 . . . . 15.0 111.035 -175.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.599 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 72.8 m-85 -99.91 118.7 36.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.697 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -104.09 118.95 37.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.33 -0.85 . . . . 15.0 110.378 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.743 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 24.2 t-20 -99.84 125.77 45.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.474 -0.33 . . . . 15.0 110.508 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.507 ' H ' ' HG3' ' A' ' 434' ' ' GLU . 0.2 OUTLIER -96.12 -9.32 31.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.552 -0.295 . . . . 15.0 111.439 -175.638 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.747 ' HB3' ' HG2' ' A' ' 434' ' ' GLU . 18.5 ptt180 -82.21 -25.77 33.9 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.417 -0.513 . . . . 15.0 110.201 -177.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.472 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 17.8 p -127.16 -7.79 5.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.488 177.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.472 ' HB2' ' O ' ' A' ' 452' ' ' THR . 4.0 mm? 71.54 30.81 2.38 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.475 0.655 . . . . 15.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.52 130.65 54.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.041 -0.981 . . . . 15.0 109.196 -176.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.7 t -124.44 122.95 39.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.011 0.434 . . . . 15.0 110.233 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.4 HG21 ' CZ3' ' A' ' 435' ' ' TRP . 9.5 t -122.4 149.96 43.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.815 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 84.4 m95 -88.35 -2.41 58.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.89 -0.595 . . . . 15.0 109.899 177.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.84 145.38 24.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 15.0 110.148 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -78.18 113.36 32.87 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.337 -0.392 . . . . 15.0 109.953 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.13 142.99 52.31 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.993 2.462 . . . . 15.0 112.216 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.541 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 62.9 tt0 -69.46 -10.27 57.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.163 0.506 . . . . 15.0 110.965 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.4 ' C ' HD13 ' A' ' 463' ' ' LEU . 48.2 mt-10 -72.96 -21.86 60.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.507 . . . . 15.0 110.342 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 435' ' ' TRP . 7.0 mp -132.66 28.42 4.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.575 -0.739 . . . . 15.0 109.839 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.541 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.42 -0.8 . . . . 15.0 110.528 -177.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.819 -0.438 . . . . 15.0 109.819 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 31.5 t 55.87 87.89 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.147 -0.686 . . . . 15.0 109.147 -170.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.571 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 0.6 OUTLIER -82.67 15.7 2.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.53 -169.04 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.515 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 86.4 m95 -89.93 111.4 22.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.871 0.367 . . . . 15.0 110.202 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 31.5 m -93.01 125.21 37.49 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.52 -0.548 . . . . 15.0 109.52 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -90.08 110.32 21.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.311 0.577 . . . . 15.0 110.587 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -113.98 114.94 26.86 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.348 -0.842 . . . . 15.0 110.267 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -91.02 116.0 28.45 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.266 -0.642 . . . . 15.0 109.266 173.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.464 HG21 ' O ' ' A' ' 444' ' ' LYS . 15.0 t -89.76 149.29 22.78 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.354 -0.385 . . . . 15.0 110.178 -177.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.9 -3.45 3.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.928 -0.578 . . . . 15.0 112.228 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -75.46 -15.48 60.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.605 0.716 . . . . 15.0 109.932 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.2 31.92 6.99 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.893 -0.67 . . . . 15.0 111.923 -178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.464 ' O ' HG21 ' A' ' 440' ' ' THR . 43.0 mttp -133.4 139.93 47.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.858 0.361 . . . . 15.0 110.573 -178.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 m -108.07 116.44 31.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.157 -0.474 . . . . 15.0 110.026 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.557 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 53.7 p90 -120.88 138.92 53.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.316 0.579 . . . . 15.0 110.96 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.452 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 78.1 m-85 -98.33 114.27 26.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.257 -0.883 . . . . 15.0 110.447 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -101.76 116.31 32.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.923 -0.58 . . . . 15.0 109.992 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.515 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 23.4 t-20 -89.91 117.46 28.74 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.773 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -10.5 59.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.994 0.426 . . . . 15.0 110.792 -176.262 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.571 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 32.9 ttm180 -86.43 -29.09 23.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.396 -0.365 . . . . 15.0 111.001 -176.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.2 p -120.56 -7.81 9.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.449 -0.342 . . . . 15.0 111.471 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 78.9 mt 68.73 26.16 6.2 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.535 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -95.3 136.74 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.574 -0.739 . . . . 15.0 111.118 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -110.38 121.53 45.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.35 -0.611 . . . . 15.0 109.35 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 40.8 p -122.47 145.11 48.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 15.0 111.639 -175.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.557 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 92.9 m95 -96.6 12.53 31.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.148 0.499 . . . . 15.0 109.814 174.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -120.89 142.43 49.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.474 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.452 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 40.1 ttmt -78.97 116.99 64.22 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.793 0.33 . . . . 15.0 110.934 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -68.11 151.79 76.94 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.233 2.622 . . . . 15.0 111.627 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . 0.426 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 13.3 tt0 -64.09 -16.61 62.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 15.0 111.376 -176.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.91 -16.69 60.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.058 0.456 . . . . 15.0 110.792 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.441 ' N ' HD22 ' A' ' 463' ' ' LEU . 3.3 mm? -119.68 13.59 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 15.0 109.967 -179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.426 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 17.5 tptm . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.479 -0.772 . . . . 15.0 110.502 -174.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 121.02 0.438 . . . . 15.0 110.696 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.8 m -91.83 101.54 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.415 . . . . 15.0 109.921 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 4.2 mt-10 -103.93 36.05 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.151 -175.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.465 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 94.0 m95 -90.05 117.25 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.942 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.4 m -115.96 138.71 50.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.234 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -90.06 118.14 29.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.585 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -123.06 122.94 39.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.29 0.567 . . . . 15.0 110.854 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.472 ' HG2' HG21 ' A' ' 445' ' ' THR . 51.2 mtpt -99.82 120.71 40.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.594 -0.73 . . . . 15.0 109.811 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.9 t -98.3 150.18 21.82 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.931 -0.308 . . . . 15.0 110.511 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.6 -14.65 63.12 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.363 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.27 -21.74 64.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.196 0.522 . . . . 15.0 110.142 175.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 106.26 32.66 3.65 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.769 -0.65 . . . . 15.0 111.91 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -135.52 136.52 41.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.182 0.515 . . . . 15.0 111.007 -178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.472 HG21 ' HG2' ' A' ' 439' ' ' LYS . 24.4 m -108.87 108.94 19.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.695 177.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.454 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 53.2 p90 -121.83 149.99 42.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.133 0.492 . . . . 15.0 111.101 -175.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.455 ' HB2' ' CG2' ' A' ' 456' ' ' THR . 75.4 m-85 -101.71 118.0 36.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.199 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -101.93 119.58 39.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.309 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.465 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 20.9 t-20 -90.04 113.86 25.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.857 -0.794 . . . . 15.0 108.857 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -77.93 -10.81 59.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.264 0.554 . . . . 15.0 111.037 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -85.94 -28.61 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.053 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 31.8 p -123.14 -2.64 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.835 0.309 . . . . 15.0 111.835 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.2 mp 66.86 23.64 9.93 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.872 0.469 . . . . 15.0 110.974 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.51 127.83 42.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.181 -0.463 . . . . 15.0 111.514 -175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.9 m -104.38 122.43 45.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.231 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.455 ' CG2' ' HB2' ' A' ' 447' ' ' TYR . 9.9 t -113.47 146.16 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.053 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.454 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.4 m95 -98.76 -1.47 40.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.296 0.57 . . . . 15.0 110.097 -175.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -122.32 156.39 33.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.308 -0.86 . . . . 15.0 109.804 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -67.9 118.79 61.52 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.398 -178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.704 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 24.7 Cg_endo -62.01 153.52 68.27 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.171 2.581 . . . . 15.0 111.613 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -57.95 -31.1 66.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 15.0 112.29 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.51 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.4 pm0 -85.96 -4.3 59.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.918 0.34 . . . . 15.0 111.918 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.704 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 10.7 mp -116.99 4.89 12.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 15.0 110.563 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.615 -0.707 . . . . 15.0 110.068 -177.674 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.488 -0.56 . . . . 15.0 109.488 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.9 m 55.1 86.13 0.06 Allowed 'General case' 0 C--O 1.232 0.164 0 O-C-N 123.819 0.7 . . . . 15.0 109.651 -170.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.5 OUTLIER -82.98 17.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.444 -0.798 . . . . 15.0 111.23 -168.124 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.425 ' HE3' ' HB3' ' A' ' 447' ' ' TYR . 99.4 m95 -90.63 117.98 29.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.823 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.8 t -124.04 123.79 41.13 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.773 -0.454 . . . . 15.0 109.773 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.54 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 11.4 pt-20 -89.86 128.36 36.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.738 0.78 . . . . 15.0 110.127 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.544 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 59.1 ttt180 -110.48 117.07 32.57 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.921 -1.036 . . . . 15.0 109.529 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.533 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 42.8 mtmt -91.93 116.12 28.64 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.541 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.8 t -96.27 150.4 20.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.611 -0.722 . . . . 15.0 109.769 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.5 7.07 0.89 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.142 0.423 . . . . 15.0 112.142 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.38 -6.66 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 15.0 109.176 171.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.9 28.05 17.04 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.298 -0.864 . . . . 15.0 112.171 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -142.51 141.19 32.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 15.0 110.615 -175.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.533 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 8.9 t -111.41 137.45 49.17 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.937 -0.574 . . . . 15.0 109.758 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.632 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 37.1 p90 -127.19 139.36 52.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.962 0.411 . . . . 15.0 110.316 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.54 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 81.2 m-85 -91.58 118.99 31.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.959 -177.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . 0.469 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 74.3 t80 -107.31 119.06 38.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.966 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.464 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.0 t-20 -104.55 117.62 34.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.643 177.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -86.11 -4.28 59.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.766 0.284 . . . . 15.0 111.766 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -82.96 -44.52 15.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.453 . . . . 15.0 110.686 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 36.0 p -110.28 -1.42 17.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.347 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 66.78 25.41 9.66 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.538 178.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.94 118.0 29.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 15.0 111.067 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.469 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 11.6 p -111.26 114.21 27.24 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 173.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -137.41 150.22 47.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.107 0.48 . . . . 15.0 110.989 -174.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.632 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 89.4 m95 -87.1 -1.54 57.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.989 -0.551 . . . . 15.0 109.625 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -83.81 134.67 34.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.428 -0.805 . . . . 15.0 110.525 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.751 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 2.6 ttmp? -78.1 115.06 47.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 175.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.432 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 35.8 Cg_endo -64.45 151.96 83.48 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.257 2.638 . . . . 15.0 112.655 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.87 -21.25 63.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.727 -0.67 . . . . 15.0 110.836 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.441 ' C ' HD12 ' A' ' 463' ' ' LEU . 11.7 tp10 -80.71 -16.03 54.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 15.0 111.398 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.441 HD12 ' C ' ' A' ' 462' ' ' GLU . 7.3 mp -131.67 17.95 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.481 -0.327 . . . . 15.0 110.929 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.751 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.5 ttpm? . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.065 -0.969 . . . . 15.0 110.767 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.768 -0.456 . . . . 15.0 109.768 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 47.1 m -149.37 123.46 9.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.031 0.443 . . . . 15.0 111.458 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 1.012 ' HG3' ' HB3' ' A' ' 451' ' ' ARG . 27.0 tt0 -116.32 -30.32 5.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.627 172.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -116.23 118.05 31.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.009 0.433 . . . . 15.0 111.055 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.8 p -133.78 128.32 34.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.878 -0.601 . . . . 15.0 110.231 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -90.05 131.47 35.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.084 0.469 . . . . 15.0 110.515 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -129.92 120.64 25.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.292 0.568 . . . . 15.0 110.645 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -89.83 108.29 19.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.347 -0.842 . . . . 15.0 108.744 176.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.424 HG21 ' O ' ' A' ' 444' ' ' LYS . 14.9 t -89.99 150.16 22.25 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.748 -173.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.47 -12.66 10.27 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.691 -0.686 . . . . 15.0 111.994 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -68.24 -9.78 49.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.289 0.566 . . . . 15.0 110.64 175.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.34 25.98 14.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.953 -0.641 . . . . 15.0 112.425 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.424 ' O ' HG21 ' A' ' 440' ' ' THR . 59.3 mttp -136.75 139.08 41.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.947 0.403 . . . . 15.0 110.715 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.8 m -106.44 104.12 13.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.078 -0.51 . . . . 15.0 109.743 177.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -116.17 150.1 38.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.918 0.389 . . . . 15.0 110.441 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -97.32 117.55 31.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.3 0.572 . . . . 15.0 110.659 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -90.33 125.81 35.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.401 -0.818 . . . . 15.0 109.987 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.691 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 19.3 t-20 -89.81 117.61 28.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.795 -0.639 . . . . 15.0 109.589 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -94.5 -17.97 21.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.54 0.57 . . . . 15.0 112.54 -169.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 1.012 ' HB3' ' HG3' ' A' ' 434' ' ' GLU . 38.5 ttm180 -92.81 -50.49 5.54 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.146 -0.622 . . . . 15.0 111.935 -176.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.84 1.69 43.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.164 0.431 . . . . 15.0 112.164 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.5 mt 62.05 89.89 0.08 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.654 0.74 . . . . 15.0 111.554 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -149.89 148.94 29.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.415 -0.811 . . . . 15.0 109.883 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.2 p -125.74 102.43 7.32 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.077 0.465 . . . . 15.0 109.828 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.9 t -106.12 142.28 36.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.977 -0.556 . . . . 15.0 110.099 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -107.28 -17.63 14.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.308 0.575 . . . . 15.0 110.181 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -92.47 153.46 19.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.4 -0.818 . . . . 15.0 110.053 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.473 ' HE2' ' HB3' ' A' ' 463' ' ' LEU . 18.8 tptm -67.71 117.41 47.6 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.244 -177.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.532 ' HB2' HD21 ' A' ' 463' ' ' LEU . 25.0 Cg_exo -63.7 145.26 90.98 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 123.002 2.468 . . . . 15.0 111.912 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -41.55 67.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.498 -0.774 . . . . 15.0 110.667 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.24 -21.53 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 15.0 111.998 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.532 HD21 ' HB2' ' A' ' 460' ' ' PRO . 3.6 mm? -94.34 -52.89 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.997 -0.372 . . . . 15.0 109.997 178.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? . . . . . 0 C--O 1.249 1.07 0 CA-C-N 115.348 -0.842 . . . . 15.0 110.96 179.636 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.003 -0.369 . . . . 15.0 110.003 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.9 m 50.87 80.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.701 0.626 . . . . 15.0 109.735 -171.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.5 OUTLIER -78.65 34.49 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.397 -0.819 . . . . 15.0 112.312 -167.236 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -92.08 109.84 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.797 0.332 . . . . 15.0 111.163 -177.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.9 t -94.88 140.03 30.5 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.438 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -94.31 118.05 31.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.176 0.512 . . . . 15.0 110.514 -178.706 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 438' ' ' ARG . 9.8 tpt180 -119.03 129.58 55.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.014 0.435 . . . . 15.0 110.67 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -89.65 122.08 32.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.978 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' THR . . . . . 0.401 HG21 ' H ' ' A' ' 442' ' ' ASP . 23.4 m -107.15 132.35 53.12 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.507 -0.769 . . . . 15.0 109.83 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.44 -4.67 6.07 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.931 -175.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . 0.401 ' H ' HG21 ' A' ' 440' ' ' THR . 18.7 t70 -69.77 -17.64 63.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.426 0.632 . . . . 15.0 110.314 173.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 106.31 16.95 13.32 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.846 -0.693 . . . . 15.0 112.045 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . 0.491 ' HD2' ' CE3' ' A' ' 457' ' ' TRP . 20.9 mttp -124.83 150.11 46.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.783 0.325 . . . . 15.0 110.269 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.3 m -114.06 97.71 6.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.769 -0.826 . . . . 15.0 108.769 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.629 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 19.6 p90 -89.97 134.14 34.4 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.455 0.645 . . . . 15.0 110.218 -173.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.427 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 98.1 m-85 -99.85 116.2 31.36 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.265 -0.88 . . . . 15.0 109.916 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -104.06 124.95 49.97 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.033 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.1 t-20 -89.94 114.84 26.73 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.434 -0.58 . . . . 15.0 109.434 177.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -78.16 -0.3 27.79 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.545 0.572 . . . . 15.0 112.545 -174.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -98.25 -47.38 5.47 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.785 -0.366 . . . . 15.0 110.994 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 44.7 p -103.98 0.89 30.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.588 -0.278 . . . . 15.0 111.411 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.0 mp 62.12 36.07 15.38 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.021 -0.536 . . . . 15.0 110.187 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -89.92 140.31 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.232 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -127.78 122.07 31.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.488 -0.324 . . . . 15.0 110.226 -177.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.0 t -136.33 138.43 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.769 0.318 . . . . 15.0 110.897 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.629 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 89.9 m95 -89.78 -5.41 56.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.24 0.543 . . . . 15.0 109.816 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.73 137.26 51.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.118 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.427 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 37.4 ttmt -58.46 122.52 60.73 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.882 -0.599 . . . . 15.0 112.099 -177.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.78 160.5 49.35 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.448 2.765 . . . . 15.0 112.207 178.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -56.85 -27.72 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.997 -1.002 . . . . 15.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -70.11 -13.94 62.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.62 . . . . 15.0 111.396 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.1 mp -124.83 12.05 8.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.014 0.435 . . . . 15.0 110.028 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.425 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 11.3 ttpp . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.788 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.67 0.272 . . . . 15.0 110.271 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.4 p -166.93 103.69 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.288 -0.414 . . . . 15.0 110.44 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.6 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 5.1 tp10 -96.27 16.57 17.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.49 0.662 . . . . 15.0 109.627 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 93.2 m95 -92.01 126.65 37.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.181 -0.918 . . . . 15.0 110.412 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.7 p -103.35 123.75 47.4 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.9 -0.408 . . . . 15.0 109.9 172.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -89.81 116.87 28.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.864 0.364 . . . . 15.0 110.741 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -119.18 108.06 14.21 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.133 0.492 . . . . 15.0 110.33 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . 0.703 ' HZ1' ' HB2' ' A' ' 439' ' ' LYS . 5.0 ttmp? -96.92 112.79 24.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.641 -0.709 . . . . 15.0 109.593 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.7 t -101.47 149.92 23.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.825 0.345 . . . . 15.0 111.085 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.88 -5.98 3.36 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.581 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.0 -14.91 61.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.386 0.612 . . . . 15.0 109.889 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 97.44 19.28 25.88 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.686 -0.688 . . . . 15.0 111.676 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -129.85 143.74 50.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.815 0.34 . . . . 15.0 110.583 -173.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.7 m -121.27 102.46 8.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.438 -0.579 . . . . 15.0 109.438 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.58 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 21.0 p90 -110.38 132.61 54.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.551 0.691 . . . . 15.0 110.842 -176.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . 0.422 ' CE2' HD22 ' A' ' 463' ' ' LEU . 85.7 m-85 -91.69 120.89 32.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.634 -1.167 . . . . 15.0 110.146 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -98.95 118.31 35.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.009 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.721 ' OD1' ' HG3' ' A' ' 451' ' ' ARG . 26.4 t-20 -89.96 122.33 32.89 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.394 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . 0.506 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 20.1 m120 -92.21 -13.38 30.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.76 0.652 . . . . 15.0 112.76 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.721 ' HG3' ' OD1' ' A' ' 449' ' ' ASN . 0.2 OUTLIER -77.82 -13.28 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.233 -0.587 . . . . 15.0 110.306 -175.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' THR . . . . . 0.511 HG23 ' HD3' ' A' ' 451' ' ' ARG . 10.7 p -142.26 -88.72 0.14 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.128 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.6 tt 172.48 86.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.635 -1.246 . . . . 15.0 107.635 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 13.1 tp10 -134.75 126.25 28.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.679 -173.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.0 p -108.37 102.05 11.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.09 0.472 . . . . 15.0 109.91 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' THR . . . . . 0.448 HG21 ' O ' ' A' ' 458' ' ' GLU . 21.7 m -107.68 125.67 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.758 -174.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.58 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 98.5 m95 -93.83 -4.22 50.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 15.0 111.95 -173.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . 0.448 ' O ' HG21 ' A' ' 456' ' ' THR . 0.9 OUTLIER -123.36 148.18 46.3 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.039 -1.097 . . . . 15.0 108.039 175.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 44.5 mtpt -58.67 119.22 34.98 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.945 0.402 . . . . 15.0 111.352 -174.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.4 Cg_endo -58.33 154.53 40.38 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.267 2.644 . . . . 15.0 111.694 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -61.59 -9.35 5.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.775 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . 0.444 ' C ' HD11 ' A' ' 463' ' ' LEU . 30.9 mt-10 -88.78 -15.61 34.2 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.671 0.249 . . . . 15.0 111.671 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.444 HD11 ' C ' ' A' ' 462' ' ' GLU . 7.7 mp -130.09 -2.13 4.58 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.693 -0.231 . . . . 15.0 111.43 -176.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 49.9 tttp . . . . . 0 C--O 1.254 1.332 0 CA-C-O 118.431 -0.795 . . . . 15.0 111.885 -171.394 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.595 0.236 . . . . 15.0 110.519 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.9 t 65.52 -177.95 0.18 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.422 176.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLU . . . . . 0.636 ' HG2' ' CB ' ' A' ' 451' ' ' ARG . 5.6 tp10 67.98 20.41 9.15 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.902 0.881 . . . . 15.0 111.408 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' TRP . . . . . 0.468 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.7 m95 -89.81 113.06 24.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.107 0.479 . . . . 15.0 110.994 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.3 m -109.14 115.96 31.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.201 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -89.9 131.81 35.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.286 0.565 . . . . 15.0 110.774 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -120.57 116.41 25.32 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.089 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -90.01 115.89 27.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.759 -0.655 . . . . 15.0 109.93 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.5 t -90.02 146.83 24.06 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 176.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.96 -8.44 22.64 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.555 -175.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.27 -23.23 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.406 173.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 104.67 30.4 4.93 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.743 -0.741 . . . . 15.0 112.027 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 30.8 mtmm -132.05 138.44 48.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.859 0.361 . . . . 15.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.5 m -114.3 100.22 8.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.081 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' TYR . . . . . 0.509 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 55.9 p90 -99.37 139.92 34.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.266 0.555 . . . . 15.0 110.427 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -97.54 118.57 34.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.567 -0.742 . . . . 15.0 110.189 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -104.73 119.91 40.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.195 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' ASN . . . . . 0.468 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 14.5 t-20 -89.97 116.59 28.13 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -78.81 -14.85 59.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.437 -0.347 . . . . 15.0 111.783 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ARG . . . . . 0.636 ' CB ' ' HG2' ' A' ' 434' ' ' GLU . 31.3 ttp180 -92.96 -29.45 15.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 15.0 111.399 -176.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 39.6 p -110.36 -4.83 15.42 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.781 -0.368 . . . . 15.0 111.387 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 11.2 mp 63.59 24.1 13.85 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.976 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -92.45 119.76 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.837 -0.62 . . . . 15.0 111.235 -174.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -105.96 117.32 33.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.707 -0.479 . . . . 15.0 109.707 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.5 t -121.4 148.38 44.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.154 -0.476 . . . . 15.0 110.787 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' TRP . . . . . 0.509 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.4 m95 -93.9 -1.24 55.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 15.0 109.62 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -101.82 151.46 22.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.196 -0.911 . . . . 15.0 110.027 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -80.19 118.44 72.43 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.864 -0.421 . . . . 15.0 109.864 176.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.522 ' HD2' HD21 ' A' ' 463' ' ' LEU . 32.4 Cg_exo -59.28 156.33 35.84 Favored 'Trans proline' 0 CA--C 1.52 -0.219 0 C-N-CA 123.492 2.795 . . . . 15.0 112.095 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -60.78 -17.67 50.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.593 -0.731 . . . . 15.0 111.36 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -73.01 -24.78 60.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.532 -0.304 . . . . 15.0 111.048 176.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' LEU . . . . . 0.522 HD21 ' HD2' ' A' ' 460' ' ' PRO . 2.5 mm? -109.84 -26.15 9.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.564 0.221 . . . . 15.0 111.186 -177.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' LYS . . . . . 0.437 ' HE2' ' C ' ' A' ' 464' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.563 -0.732 . . . . 15.0 109.982 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.651 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.776 0.322 . . . . 15.0 111.027 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -89.9 104.5 17.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.136 0.493 . . . . 15.0 110.148 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.7 p -102.64 123.54 46.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.435 -0.802 . . . . 15.0 109.697 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 437' ' ' GLU . 9.3 pt-20 -90.25 115.7 27.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.424 0.631 . . . . 15.0 110.712 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.423 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 79.2 ttt180 -101.82 112.88 25.65 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.416 -0.811 . . . . 15.0 109.676 177.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.573 ' HG2' HG23 ' A' ' 445' ' ' THR . 75.3 mttt -92.29 104.8 17.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.388 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 444' ' ' LYS . 11.0 t -90.07 149.21 22.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.753 -174.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.98 -12.19 47.2 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.803 -0.635 . . . . 15.0 111.228 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.53 -12.57 45.92 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.742 -0.663 . . . . 15.0 110.215 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.9 26.66 10.22 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.872 -0.604 . . . . 15.0 112.134 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 440' ' ' THR . 61.8 mttp -136.56 140.34 42.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.953 0.406 . . . . 15.0 110.882 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.573 HG23 ' HG2' ' A' ' 439' ' ' LYS . 41.1 m -115.24 100.26 8.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.964 -0.562 . . . . 15.0 109.955 176.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.469 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 25.4 p90 -101.27 139.35 37.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.164 0.507 . . . . 15.0 109.862 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 459' ' ' LYS . 83.5 m-85 -94.27 116.04 28.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.784 -0.644 . . . . 15.0 110.248 -176.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -108.09 121.05 44.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.209 -0.905 . . . . 15.0 110.18 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.0 t-20 -90.2 114.22 26.16 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.382 -0.599 . . . . 15.0 109.382 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.6 -1.57 38.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 15.0 111.164 -173.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.651 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 16.8 tpp180 -96.13 -51.42 4.43 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.069 -0.252 . . . . 15.0 110.683 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.3 p -95.6 -3.43 46.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.562 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 66.12 30.91 9.16 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.281 0.562 . . . . 15.0 110.14 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -89.68 129.27 36.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.61 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.4 p -123.83 113.14 18.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.872 0.368 . . . . 15.0 110.284 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -131.02 149.98 52.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.85 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 88.3 m95 -94.83 3.17 55.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.398 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -124.35 126.9 46.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.8 -0.636 . . . . 15.0 109.533 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.871 ' H ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -70.71 127.78 91.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 121.156 0.503 . . . . 15.0 111.763 -175.051 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -51.08 165.18 0.53 Allowed 'Trans proline' 0 N--CA 1.475 0.436 0 C-N-CA 124.233 3.288 . . . . 15.0 113.172 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.07 -23.5 7.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.921 -1.036 . . . . 15.0 111.666 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.33 -22.86 67.14 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.344 0.592 . . . . 15.0 110.641 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 459' ' ' LYS . 62.0 mt -119.52 -73.3 0.65 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.496 -0.775 . . . . 15.0 109.675 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.539 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.243 0.727 0 O-C-N 123.94 0.775 . . . . 15.0 111.248 175.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 2.0 mt-10 . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 109.3 -0.629 . . . . 15.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -90.08 119.66 30.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.184 -0.916 . . . . 15.0 110.464 -176.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 15.4 t -95.91 135.57 37.49 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.152 -0.685 . . . . 15.0 109.152 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -89.78 102.43 15.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.859 0.837 . . . . 15.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 438' ' ' ARG . 20.3 tpt180 -97.22 113.75 25.39 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.198 -0.91 . . . . 15.0 109.775 177.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -89.84 106.23 18.33 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.11 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 m -91.77 136.14 33.37 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.856 -1.065 . . . . 15.0 110.683 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.29 2.6 1.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.106 0.41 . . . . 15.0 112.106 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.99 -1.16 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.481 0.658 . . . . 15.0 109.595 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 17.87 52.25 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.549 -0.75 . . . . 15.0 111.696 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -136.01 137.84 41.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.91 0.386 . . . . 15.0 110.417 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 29.0 m -104.6 99.72 9.39 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.291 -0.633 . . . . 15.0 109.291 174.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.456 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.9 p90 -90.07 131.36 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 -175.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -93.88 122.84 36.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.668 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.595 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 88.8 t80 -116.29 123.69 48.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.336 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 22.3 t-20 -89.76 111.16 22.08 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.441 -0.948 . . . . 15.0 108.441 176.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.12 -13.93 61.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.151 -0.477 . . . . 15.0 111.444 -173.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 451' ' ' ARG . 8.8 tpt180 -84.55 -49.54 8.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.405 -0.362 . . . . 15.0 111.205 -177.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.3 p -102.01 0.23 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.702 0.26 . . . . 15.0 111.702 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.5 mp 65.12 28.22 12.28 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.147 -0.478 . . . . 15.0 111.18 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -89.73 119.77 30.42 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.91 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.595 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 3.5 p -116.49 124.04 48.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.738 0.304 . . . . 15.0 110.734 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.4 t -135.34 147.26 49.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.493 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.456 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.2 m95 -95.86 -12.23 25.54 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.191 0.519 . . . . 15.0 110.024 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -97.34 146.49 25.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.745 -0.835 . . . . 15.0 108.745 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -66.08 122.52 81.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 123.226 0.329 . . . . 15.0 111.133 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -58.3 153.55 46.23 Favored 'Trans proline' 0 CA--C 1.514 -0.502 0 C-N-CA 122.71 2.273 . . . . 15.0 110.31 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -56.65 -27.22 58.1 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 123.356 0.41 . . . . 15.0 111.929 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.42 -11.09 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 15.0 111.485 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 75.5 mt -134.77 12.88 3.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.009 -0.541 . . . . 15.0 111.407 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 49.3 tptt . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.949 -0.548 . . . . 15.0 111.043 -174.006 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.77 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 7.8 tp10 . . . . . 0 C--O 1.235 0.293 0 N-CA-C 109.069 -0.715 . . . . 15.0 109.069 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -89.74 112.55 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.731 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.2 p -98.16 146.73 25.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.579 -0.282 . . . . 15.0 111.084 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -89.62 120.19 30.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.149 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.436 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 69.6 ttt180 -126.5 105.2 8.58 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.717 -0.393 . . . . 15.0 110.939 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.789 ' HG2' HG23 ' A' ' 445' ' ' THR . 9.9 mtmp? -97.41 107.08 19.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.1 t -91.5 150.23 21.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.705 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.18 -4.66 1.2 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.609 0.596 . . . . 15.0 112.609 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -79.18 2.41 21.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.569 0.699 . . . . 15.0 109.716 175.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.27 30.25 38.03 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.645 -0.707 . . . . 15.0 112.242 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -134.26 136.3 43.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.234 0.54 . . . . 15.0 111.169 -175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.789 HG23 ' HG2' ' A' ' 439' ' ' LYS . 13.1 m -112.83 102.85 10.84 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.031 -0.986 . . . . 15.0 109.411 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 12.8 p90 -119.92 150.14 40.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.977 0.418 . . . . 15.0 110.673 -175.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -101.38 125.77 48.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.608 -0.724 . . . . 15.0 111.176 -175.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -115.46 122.03 44.52 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.389 -0.823 . . . . 15.0 110.002 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -90.01 117.32 28.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.202 -0.666 . . . . 15.0 109.202 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -81.02 -0.11 38.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.559 -173.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.77 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 12.5 ttm180 -108.86 -28.03 9.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.819 0.342 . . . . 15.0 111.192 -177.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 70.9 p -112.65 -2.6 14.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.827 0.346 . . . . 15.0 110.898 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.5 mp 60.86 34.35 19.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.227 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -96.92 117.32 30.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.375 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.0 p -102.71 109.76 21.46 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.9 t -123.99 149.96 45.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.787 0.327 . . . . 15.0 110.647 -176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -96.39 -1.09 48.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.075 0.464 . . . . 15.0 110.87 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -106.48 139.01 41.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 15.0 110.037 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.675 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 21.8 ttmm -68.98 120.23 74.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 110.357 -0.238 . . . . 15.0 110.357 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.0 Cg_exo -67.38 154.25 74.46 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.947 2.431 . . . . 15.0 112.105 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -63.48 -14.88 55.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.596 -0.729 . . . . 15.0 112.214 -176.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -88.11 -9.36 53.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.281 -0.262 . . . . 15.0 111.527 -177.668 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 34.4 mt -126.44 11.82 7.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 15.0 110.93 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.675 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.6 ttpm? . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.597 -0.716 . . . . 15.0 110.192 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.651 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 4.0 tp10 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.881 0.372 . . . . 15.0 110.438 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -90.17 123.19 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.062 0.458 . . . . 15.0 111.312 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.3 m -121.66 125.63 47.12 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.161 -0.681 . . . . 15.0 109.161 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.494 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.6 pt-20 -89.79 125.74 35.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.732 0.777 . . . . 15.0 110.577 -177.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.437 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 48.7 ttt180 -113.85 113.58 25.09 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.003 -0.999 . . . . 15.0 109.979 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.459 ' HG2' ' CB ' ' A' ' 445' ' ' THR . 46.4 mttm -93.2 110.44 21.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.905 -0.589 . . . . 15.0 109.565 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.8 t -90.08 150.3 22.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.885 -0.598 . . . . 15.0 110.607 -176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.68 -9.56 9.53 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.065 -175.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -65.36 -22.86 66.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.405 0.622 . . . . 15.0 110.323 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.31 35.83 3.77 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.81 -0.71 . . . . 15.0 112.032 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -142.32 141.36 32.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.015 0.436 . . . . 15.0 110.575 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.459 ' CB ' ' HG2' ' A' ' 439' ' ' LYS . 3.6 t -116.66 112.14 20.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.0 178.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.437 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 36.0 p90 -112.89 148.1 35.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.448 . . . . 15.0 110.558 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.558 ' CE2' ' HG ' ' A' ' 463' ' ' LEU . 62.4 m-85 -95.5 118.93 33.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -107.58 115.98 31.13 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.435 -0.802 . . . . 15.0 110.406 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 17.6 t-20 -90.04 111.34 22.42 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.867 -0.79 . . . . 15.0 108.867 175.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -74.24 -13.83 60.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.838 0.351 . . . . 15.0 111.517 -174.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.651 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 44.9 ttt180 -87.83 -29.62 20.8 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.158 -0.217 . . . . 15.0 111.365 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.6 p -114.75 -6.45 12.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.651 0.241 . . . . 15.0 111.651 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 87.0 mt 67.86 23.39 8.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.178 0.514 . . . . 15.0 110.179 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -90.02 132.8 35.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.933 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 30.2 p -120.02 113.44 20.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.786 0.327 . . . . 15.0 110.437 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.51 ' HB ' ' OE2' ' A' ' 458' ' ' GLU . 73.2 p -110.85 147.11 35.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.543 -0.299 . . . . 15.0 110.491 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -93.02 -3.79 53.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.448 0.642 . . . . 15.0 109.914 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.51 ' OE2' ' HB ' ' A' ' 456' ' ' THR . 0.8 OUTLIER -124.83 145.31 49.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.006 -0.997 . . . . 15.0 109.547 177.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -71.4 119.29 72.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.895 0.378 . . . . 15.0 110.969 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.844 ' HD2' HD23 ' A' ' 463' ' ' LEU . 52.5 Cg_exo -57.52 161.77 11.42 Favored 'Trans proline' 0 CA--C 1.517 -0.329 0 C-N-CA 122.749 2.3 . . . . 15.0 111.243 170.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -51.04 -24.32 3.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.207 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.62 -17.28 61.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.682 0.277 . . . . 15.0 111.432 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.844 HD23 ' HD2' ' A' ' 460' ' ' PRO . 1.0 OUTLIER -121.88 8.82 9.95 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.4 tmtp? . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.42 -0.8 . . . . 15.0 109.797 -174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 6.3 tp10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.408 0.623 . . . . 15.0 109.917 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.405 ' HE3' ' HB3' ' A' ' 447' ' ' TYR . 81.5 m95 -97.4 120.75 38.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.307 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 26.6 m -90.09 109.7 20.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.986 -0.552 . . . . 15.0 109.676 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -89.98 123.38 33.84 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.608 -0.724 . . . . 15.0 109.769 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.472 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 66.7 ttt180 -147.23 134.26 20.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.197 -0.456 . . . . 15.0 110.82 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 3.3 mppt? -89.66 127.39 35.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.052 0.453 . . . . 15.0 110.367 175.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.14 148.75 22.79 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.277 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.06 -18.19 22.93 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.296 0.48 . . . . 15.0 112.296 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.27 -6.32 49.22 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.18 0.514 . . . . 15.0 111.043 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.01 41.74 6.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.825 -0.702 . . . . 15.0 111.658 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm -126.28 143.52 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.409 -0.219 . . . . 15.0 110.409 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.1 m -111.32 101.36 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.466 -0.568 . . . . 15.0 109.466 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.472 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 18.8 p90 -109.59 137.81 46.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.124 0.488 . . . . 15.0 110.161 -176.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 455' ' ' SER . 79.5 m-85 -103.03 114.37 28.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.752 -0.658 . . . . 15.0 110.502 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -97.22 107.2 19.67 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.416 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 25.1 t-20 -89.96 129.16 36.34 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.831 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -99.96 -2.05 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.652 0.612 . . . . 15.0 112.652 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.488 ' HB3' ' HG2' ' A' ' 434' ' ' GLU . 4.3 ptm180 -96.82 -24.42 15.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 120.178 -0.609 . . . . 15.0 111.459 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 36.3 p -126.96 -3.98 6.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.524 0.202 . . . . 15.0 110.966 176.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 58.96 77.8 0.29 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.521 0.677 . . . . 15.0 111.314 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -150.09 134.88 17.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.89 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 27.9 t -110.38 111.11 22.17 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.492 -0.559 . . . . 15.0 109.492 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 48.5 p -104.82 149.97 25.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.128 -176.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -105.36 -5.4 20.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.068 -0.715 . . . . 15.0 109.068 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -97.02 149.58 21.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.047 -0.979 . . . . 15.0 109.709 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.447 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 3.6 tmtp? -76.81 111.07 13.86 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.653 -0.499 . . . . 15.0 109.653 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.0 Cg_exo -68.88 141.0 47.57 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.121 2.547 . . . . 15.0 111.83 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.851 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 10.1 tt0 -66.63 -17.9 65.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.107 0.479 . . . . 15.0 111.114 -178.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -68.37 -14.98 63.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.258 0.551 . . . . 15.0 110.438 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.447 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 8.7 mp -128.33 11.82 6.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.228 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.851 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 38.1 ttpt . . . . . 0 C--O 1.248 1.014 0 O-C-N 123.884 0.74 . . . . 15.0 112.619 -170.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.174 0 N-CA-C 111.953 0.353 . . . . 15.0 111.953 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.521 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 97.5 m95 -89.74 116.96 28.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.675 0.274 . . . . 15.0 110.3 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.7 t -121.94 136.38 54.92 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.439 -0.578 . . . . 15.0 109.439 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -90.0 107.94 19.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.997 0.904 . . . . 15.0 110.247 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.605 ' HD2' ' CE2' ' A' ' 446' ' ' TYR . 0.7 OUTLIER -90.06 125.71 35.51 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.723 -1.126 . . . . 15.0 109.007 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -89.79 118.15 29.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.367 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.2 m -89.91 131.51 35.79 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.373 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.32 -5.85 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.317 0.488 . . . . 15.0 112.317 -173.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -80.55 -9.63 59.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.024 0.44 . . . . 15.0 110.683 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.16 36.44 3.63 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.829 -0.701 . . . . 15.0 112.508 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 444' ' ' LYS . 6.6 ptpt -150.26 150.08 31.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.132 -0.321 . . . . 15.0 110.132 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.9 t -113.64 139.55 48.94 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.137 -0.32 . . . . 15.0 110.137 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.605 ' CE2' ' HD2' ' A' ' 438' ' ' ARG . 23.0 p90 -129.72 138.45 51.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.826 -0.435 . . . . 15.0 109.826 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 455' ' ' SER . 29.6 m-85 -90.13 124.14 34.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.071 0.462 . . . . 15.0 111.284 -176.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -112.98 125.91 54.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.452 -0.794 . . . . 15.0 109.845 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.6 t-20 -107.55 119.17 38.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.147 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -72.31 -15.36 61.89 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.403 0.439 . . . . 15.0 111.836 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.505 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 51.7 ttp180 -83.82 -42.01 16.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.637 0.256 . . . . 15.0 111.342 -177.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.587 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.1 t -105.85 -4.28 20.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.556 -0.293 . . . . 15.0 110.885 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.9 mp 62.32 32.72 16.89 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.824 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.587 ' HB2' HG23 ' A' ' 452' ' ' THR . 4.8 mm-40 -105.78 134.97 48.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.63 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 22.8 p -119.73 112.07 18.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.247 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.2 t -128.18 150.08 50.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.937 0.399 . . . . 15.0 111.012 -173.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 89.0 m95 -93.19 -3.64 53.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.987 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -114.88 140.42 48.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.425 -0.583 . . . . 15.0 109.425 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.408 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 89.4 mttt -69.55 119.14 68.91 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.999 0.428 . . . . 15.0 111.244 -176.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.481 ' HD2' HD23 ' A' ' 463' ' ' LEU . 37.1 Cg_exo -62.82 160.51 32.83 Favored 'Trans proline' 0 CA--C 1.517 -0.353 0 C-N-CA 123.554 2.836 . . . . 15.0 112.086 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -62.93 -10.49 13.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.298 -0.864 . . . . 15.0 111.575 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.67 -11.51 55.75 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.117 -0.364 . . . . 15.0 110.847 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.481 HD23 ' HD2' ' A' ' 460' ' ' PRO . 3.0 mm? -119.32 -13.06 9.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.1 0.476 . . . . 15.0 110.243 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.253 -0.879 . . . . 15.0 110.239 -176.807 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.549 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.234 0.251 0 N-CA-C 108.043 -1.095 . . . . 15.0 108.043 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -95.29 127.57 41.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.338 -1.301 . . . . 15.0 110.426 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 12.7 t -109.15 135.37 50.39 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.901 -0.778 . . . . 15.0 108.901 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.467 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -91.83 112.61 24.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.652 0.739 . . . . 15.0 110.582 -176.212 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -108.83 119.38 39.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.378 -0.828 . . . . 15.0 110.176 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 445' ' ' THR . 20.8 ptmt -97.31 120.05 36.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.451 0.643 . . . . 15.0 110.389 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 15.1 t -90.12 150.52 22.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.221 -0.9 . . . . 15.0 109.628 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.97 -11.85 3.88 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.639 0.607 . . . . 15.0 112.639 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.62 -12.47 61.67 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.185 0.517 . . . . 15.0 110.629 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 95.0 26.94 11.6 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.007 -0.616 . . . . 15.0 111.812 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -126.55 130.76 51.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.832 0.348 . . . . 15.0 110.409 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 77.9 m -103.64 109.83 21.67 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.509 -0.552 . . . . 15.0 109.509 177.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.564 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 45.2 p90 -108.89 138.63 44.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.215 -0.448 . . . . 15.0 109.854 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.412 ' CD1' ' HD3' ' A' ' 460' ' ' PRO . 88.9 m-85 -93.0 122.91 35.85 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.557 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -109.68 117.83 34.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.358 -0.837 . . . . 15.0 110.803 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -96.37 118.35 32.73 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.931 -0.766 . . . . 15.0 108.931 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -93.47 -7.6 43.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.152 0.501 . . . . 15.0 111.007 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.549 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 6.6 tpp180 -84.93 -35.15 22.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.954 0.407 . . . . 15.0 110.841 -178.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -113.65 -9.74 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.148 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 48.8 tp 64.77 82.83 0.18 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.486 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -146.19 135.17 22.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.262 -0.881 . . . . 15.0 110.053 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.6 p -130.81 113.11 13.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.935 -0.394 . . . . 15.0 109.935 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.5 t -128.79 149.88 50.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.473 -0.33 . . . . 15.0 110.686 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.3 m95 -90.28 -4.25 57.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.159 0.504 . . . . 15.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -98.84 139.13 34.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.078 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 41.0 ttmt -65.65 125.94 90.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.249 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 38.5 Cg_exo -61.18 143.52 98.6 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.897 2.398 . . . . 15.0 112.21 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -54.36 -29.13 47.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.44 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.53 -9.54 58.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.003 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.62 8.06 5.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.182 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.498 -0.763 . . . . 15.0 110.522 -177.497 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.556 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -133.87 109.15 8.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.09 0.471 . . . . 15.0 111.138 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 21.5 m -103.02 131.2 50.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.0 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -89.81 128.22 36.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.208 0.528 . . . . 15.0 110.112 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -120.28 113.66 20.72 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.813 -0.631 . . . . 15.0 109.914 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -103.98 107.93 19.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.969 -0.559 . . . . 15.0 109.608 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.9 t -89.95 150.0 22.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.251 -0.431 . . . . 15.0 110.562 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.08 -5.22 12.31 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.39 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.15 -9.92 59.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.375 0.607 . . . . 15.0 110.001 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.78 31.78 8.0 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.852 -0.613 . . . . 15.0 112.38 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -133.6 138.09 45.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.05 0.452 . . . . 15.0 110.735 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.3 m -113.69 108.11 16.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.607 -0.724 . . . . 15.0 109.745 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.599 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 49.3 p90 -118.52 140.99 49.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.103 0.478 . . . . 15.0 110.734 -177.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.427 ' OH ' ' HD3' ' A' ' 459' ' ' LYS . 23.7 m-85 -97.98 128.11 44.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.427 0.632 . . . . 15.0 110.84 -176.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -116.59 118.79 33.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.812 -1.086 . . . . 15.0 110.789 -174.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -93.27 117.71 30.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.311 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -97.6 -5.71 34.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.219 0.533 . . . . 15.0 110.621 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.556 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 22.5 tpt180 -78.53 -39.57 37.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.692 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.2 p -122.24 -4.21 8.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 15.0 111.555 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 65.3 80.4 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.575 0.702 . . . . 15.0 110.5 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -145.2 120.07 9.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.078 -0.964 . . . . 15.0 109.792 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.5 t -114.57 126.53 55.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.906 0.384 . . . . 15.0 110.209 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.0 t -128.24 144.36 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.55 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.599 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 90.6 m95 -90.64 -4.81 56.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.202 0.525 . . . . 15.0 110.187 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -109.23 118.51 36.91 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.706 -0.849 . . . . 15.0 108.706 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.783 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 32.8 ttpt -60.57 123.05 72.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 15.0 111.624 -175.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -52.46 141.77 50.42 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.975 2.45 . . . . 15.0 112.28 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 56.0 tp60 -58.83 -22.55 59.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 15.0 111.745 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -70.47 -19.15 62.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.179 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.469 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 6.1 mp -125.32 4.33 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.546 -0.297 . . . . 15.0 110.629 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.783 ' HA ' ' HE3' ' A' ' 459' ' ' LYS . 31.8 ttmt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.59 -0.719 . . . . 15.0 111.486 -172.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.642 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 5.0 tt0 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 108.205 -1.035 . . . . 15.0 108.205 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -90.17 110.4 21.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.537 -0.756 . . . . 15.0 111.783 -168.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 44.1 m -92.91 113.4 25.67 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.005 -0.998 . . . . 15.0 108.907 171.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -91.64 120.83 32.75 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.056 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.458 HH11 ' HD2' ' A' ' 438' ' ' ARG . 17.1 ttp180 -133.03 144.08 49.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.134 0.493 . . . . 15.0 110.281 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -89.95 125.85 35.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.798 -0.637 . . . . 15.0 110.283 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.486 HG22 ' H ' ' A' ' 442' ' ' ASP . 94.4 m -90.05 139.42 30.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.412 -0.813 . . . . 15.0 109.191 176.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.65 -14.89 23.34 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.675 0.62 . . . . 15.0 112.675 -172.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.553 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 30.8 t70 -73.24 -16.8 61.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.104 0.478 . . . . 15.0 110.61 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.54 27.86 6.6 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.807 -0.711 . . . . 15.0 111.668 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.553 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 66.3 mttm -121.64 135.41 54.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.859 0.361 . . . . 15.0 110.487 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.2 m -97.48 113.63 25.35 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.718 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -110.65 139.23 46.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.735 -0.469 . . . . 15.0 109.735 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -100.33 112.57 24.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.76 -0.654 . . . . 15.0 109.94 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -103.99 116.37 32.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.492 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.642 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 39.8 t-20 -89.61 112.42 23.63 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.477 -0.934 . . . . 15.0 108.477 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -71.63 -25.43 62.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.411 -0.813 . . . . 15.0 112.095 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.475 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 22.4 ttm180 -77.85 -35.73 50.76 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.95 -0.3 . . . . 15.0 111.356 -175.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.3 p -109.44 -8.26 15.06 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.895 -0.322 . . . . 15.0 111.809 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.5 mp 69.77 22.28 6.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.273 0.629 . . . . 15.0 110.616 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.41 122.11 32.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.796 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.0 m -106.66 113.34 26.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.465 -0.334 . . . . 15.0 110.291 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 53.3 p -104.55 136.89 43.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.021 0.438 . . . . 15.0 110.626 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -98.88 0.69 44.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.317 0.58 . . . . 15.0 109.583 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -121.58 146.63 46.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.191 -0.913 . . . . 15.0 109.783 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 41.4 mttm -57.53 129.02 80.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 113.026 0.75 . . . . 15.0 113.026 -175.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 18.4 Cg_exo -69.01 147.64 68.12 Favored 'Trans proline' 0 C--O 1.238 0.523 0 C-N-CA 123.283 2.655 . . . . 15.0 111.573 175.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -70.85 -18.12 62.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.212 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -78.46 -8.98 59.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.955 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 7.4 mp -117.79 -65.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.994 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.306 -0.854 . . . . 15.0 110.081 -176.22 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.655 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 5.4 tp10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 107.864 -1.162 . . . . 15.0 107.864 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -89.89 127.95 36.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.793 -1.094 . . . . 15.0 110.511 -173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.9 p -109.97 139.94 44.52 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.606 -0.724 . . . . 15.0 109.613 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -99.72 124.3 44.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.216 0.531 . . . . 15.0 110.195 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -122.56 112.49 18.07 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.201 -0.454 . . . . 15.0 110.339 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -90.12 111.9 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.736 -0.666 . . . . 15.0 109.424 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 444' ' ' LYS . 13.5 t -102.15 150.02 23.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.48 -0.327 . . . . 15.0 110.163 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.65 3.36 3.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.03 0.443 . . . . 15.0 111.739 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.51 -4.15 44.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.513 0.673 . . . . 15.0 109.359 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 31.87 10.51 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.387 -0.824 . . . . 15.0 112.338 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 440' ' ' THR . 77.0 mttt -144.85 138.31 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.309 0.576 . . . . 15.0 111.293 -174.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 37.0 m -113.19 101.72 9.69 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.392 -0.822 . . . . 15.0 109.391 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.472 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 49.9 p90 -101.43 142.91 32.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.966 0.412 . . . . 15.0 110.606 -176.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -100.78 123.23 44.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.422 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.641 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 81.7 t80 -111.07 120.71 43.25 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.744 -0.662 . . . . 15.0 110.657 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.52 ' OD1' ' HB3' ' A' ' 434' ' ' GLU . 42.8 t-20 -89.82 114.97 26.78 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.158 -0.682 . . . . 15.0 109.158 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -74.13 -19.85 60.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.092 -0.504 . . . . 15.0 111.637 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.655 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 17.2 ttm180 -88.66 -30.15 19.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.702 0.287 . . . . 15.0 111.476 -173.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 31.1 p -113.66 -1.16 14.09 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.951 -0.3 . . . . 15.0 111.173 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.8 mp 64.81 22.44 12.53 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.758 -0.655 . . . . 15.0 111.11 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -92.76 111.49 23.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.4 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.641 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 7.2 p -101.06 120.68 40.55 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.01 -0.541 . . . . 15.0 109.897 175.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -129.44 150.21 50.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.279 0.561 . . . . 15.0 111.447 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.6 m95 -90.1 1.53 56.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.826 178.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -107.21 135.68 48.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.866 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 37.5 ttpt -72.15 119.99 77.8 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.914 0.387 . . . . 15.0 110.616 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 22.7 Cg_exo -67.01 152.9 79.47 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 123.485 2.79 . . . . 15.0 111.904 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.71 -15.36 52.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.52 -178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.74 -21.91 65.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.015 0.436 . . . . 15.0 110.532 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.422 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 3.3 mm? -123.57 24.95 8.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.666 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.089 -0.959 . . . . 15.0 112.317 -175.198 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.976 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 1.2 mp0 . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 120.57 0.224 . . . . 15.0 111.251 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 81.6 m95 -89.65 110.1 21.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.372 -0.377 . . . . 15.0 110.484 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.1 m -104.46 110.3 22.52 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.479 -0.563 . . . . 15.0 109.479 175.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.552 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 1.8 pp20? -90.32 149.26 22.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.389 0.614 . . . . 15.0 110.641 -178.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.462 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 61.5 ttt180 -139.22 120.17 14.46 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.34 -0.845 . . . . 15.0 110.135 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.475 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 41.2 mttp -89.94 108.8 19.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.898 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -94.18 150.34 20.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.442 -0.344 . . . . 15.0 110.204 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.53 -5.05 3.31 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.991 -0.55 . . . . 15.0 111.961 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.75 -5.84 36.93 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.43 0.633 . . . . 15.0 110.16 174.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.49 30.73 18.11 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.846 -0.693 . . . . 15.0 112.058 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.461 ' O ' HG22 ' A' ' 440' ' ' THR . 60.7 mttp -143.05 140.06 30.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.647 0.26 . . . . 15.0 110.305 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.475 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 9.9 t -110.23 129.78 55.66 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.768 -0.827 . . . . 15.0 108.768 168.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.581 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 41.1 p90 -116.54 130.89 57.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.22 0.533 . . . . 15.0 110.061 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.552 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 37.2 m-85 -89.94 106.14 18.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.331 -0.85 . . . . 15.0 109.313 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -101.92 114.33 28.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.194 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 21.6 t-20 -90.24 115.6 27.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.895 -0.593 . . . . 15.0 109.651 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -81.05 -0.69 40.9 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.562 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.976 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 69.0 ttt180 -95.38 -44.18 7.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.658 0.266 . . . . 15.0 111.045 -177.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 14.2 p -108.17 2.15 22.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.707 0.289 . . . . 15.0 111.332 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.6 mp 62.47 29.89 17.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.021 -0.536 . . . . 15.0 111.025 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.46 128.64 38.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.362 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.6 t -100.85 106.43 17.8 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 172.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 63.4 m -113.97 127.34 55.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.173 -0.922 . . . . 15.0 110.541 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.581 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.5 m95 -97.44 -2.39 42.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.458 -174.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -109.17 152.17 25.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.097 -0.502 . . . . 15.0 110.282 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -66.83 116.46 35.4 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.267 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.46 143.18 97.25 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.131 2.554 . . . . 15.0 112.01 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -74.56 -14.98 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.987 -174.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -70.21 -16.66 63.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.96 0.409 . . . . 15.0 110.331 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.55 -49.59 3.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.821 -0.437 . . . . 15.0 109.821 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.251 1.137 0 CA-C-N 115.389 -0.823 . . . . 15.0 111.14 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.784 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.327 0 CA-C-O 121.407 0.623 . . . . 15.0 109.754 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -89.8 120.19 30.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.508 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.2 p -105.01 124.04 48.85 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.989 -0.374 . . . . 15.0 109.989 173.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -89.99 109.89 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -116.81 116.01 26.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.271 0.558 . . . . 15.0 110.454 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 445' ' ' THR . 85.8 mttt -91.78 116.34 28.81 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.263 -0.88 . . . . 15.0 109.507 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 444' ' ' LYS . 10.2 t -89.63 146.73 24.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.346 -0.388 . . . . 15.0 110.429 -175.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.82 -11.55 13.15 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.8 0.687 . . . . 15.0 112.033 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.66 -21.47 66.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.184 0.516 . . . . 15.0 110.181 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 103.86 20.39 10.74 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.839 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 440' ' ' THR . 29.6 mtmm -121.27 141.69 50.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.399 0.619 . . . . 15.0 111.177 -177.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.551 HG23 ' HG2' ' A' ' 439' ' ' LYS . 20.9 m -112.55 105.23 13.39 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.2 -0.909 . . . . 15.0 109.692 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.544 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 54.2 p90 -112.94 142.53 45.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.334 0.587 . . . . 15.0 110.542 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 455' ' ' SER . 79.5 m-85 -103.49 114.85 29.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.535 -175.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -107.31 119.6 39.85 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.576 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -89.85 115.08 26.91 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.219 -1.03 . . . . 15.0 108.219 173.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -77.64 -12.6 59.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.232 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.784 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 4.5 tpp180 -95.44 -21.56 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.443 -0.344 . . . . 15.0 111.435 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.5 p -121.87 -2.03 9.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.76 0.314 . . . . 15.0 111.166 176.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.2 mp 63.54 28.21 15.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.581 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -110.67 136.39 49.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.882 0.372 . . . . 15.0 110.502 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 13.8 t -117.72 120.1 36.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.844 0.354 . . . . 15.0 110.547 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.479 ' HB ' ' OE2' ' A' ' 458' ' ' GLU . 62.2 p -106.23 148.36 28.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.213 -0.449 . . . . 15.0 109.949 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.544 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 94.6 m95 -98.34 4.56 48.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.343 0.592 . . . . 15.0 110.601 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.479 ' OE2' ' HB ' ' A' ' 456' ' ' THR . 0.0 OUTLIER -118.85 153.22 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.703 174.677 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 25.0 tttp -75.2 118.2 68.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.447 -0.342 . . . . 15.0 111.035 -174.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 36.6 Cg_exo -60.16 140.16 90.9 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.082 2.521 . . . . 15.0 111.309 177.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.874 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 61.4 tt0 -66.19 -18.98 65.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 15.0 111.046 -177.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -68.93 -16.48 63.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.558 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.81 10.83 9.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 15.0 109.948 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.874 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 12.1 tmtt? . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.531 -0.759 . . . . 15.0 109.918 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.746 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 10.1 tp10 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.987 0.422 . . . . 15.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.54 ' HB2' HD13 ' A' ' 463' ' ' LEU . 95.0 m95 -93.46 111.27 22.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.347 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.5 t -103.99 128.85 51.56 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.566 -0.531 . . . . 15.0 109.566 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.608 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.7 pt-20 -98.53 122.78 42.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.094 0.474 . . . . 15.0 110.464 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -125.69 148.25 49.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.741 -0.663 . . . . 15.0 110.433 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -89.86 119.27 30.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 15.0 110.813 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 79.0 m -89.99 142.22 27.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.182 -0.673 . . . . 15.0 109.182 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.91 10.06 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.65 0.611 . . . . 15.0 112.65 -173.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.534 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 33.7 t70 -74.76 -10.62 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.283 0.563 . . . . 15.0 110.455 176.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 97.02 26.08 10.67 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.868 -0.605 . . . . 15.0 112.381 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.534 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 64.1 mttm -126.7 140.75 52.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.715 0.293 . . . . 15.0 110.51 -177.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 m -101.34 109.22 21.03 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.66 -0.496 . . . . 15.0 109.66 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.408 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 13.5 p90 -104.78 144.97 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.98 0.419 . . . . 15.0 111.035 -175.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 72.8 m-85 -99.91 118.7 36.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.697 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -104.09 118.95 37.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.33 -0.85 . . . . 15.0 110.378 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.753 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 24.2 t-20 -99.84 125.77 45.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.474 -0.33 . . . . 15.0 110.508 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.598 ' H ' ' HG3' ' A' ' 434' ' ' GLU . 0.2 OUTLIER -96.12 -9.32 31.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.552 -0.295 . . . . 15.0 111.439 -175.638 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.753 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 18.5 ptt180 -82.21 -25.77 33.9 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.417 -0.513 . . . . 15.0 110.201 -177.225 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 17.8 p -127.16 -7.79 5.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.488 177.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 452' ' ' THR . 4.0 mm? 71.54 30.81 2.38 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.475 0.655 . . . . 15.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.52 130.65 54.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.041 -0.981 . . . . 15.0 109.196 -176.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.7 t -124.44 122.95 39.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.011 0.434 . . . . 15.0 110.233 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.404 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 9.5 t -122.4 149.96 43.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.815 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.408 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 84.4 m95 -88.35 -2.41 58.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.89 -0.595 . . . . 15.0 109.899 177.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.84 145.38 24.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 15.0 110.148 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -78.18 113.36 32.87 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.337 -0.392 . . . . 15.0 109.953 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.13 142.99 52.31 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.993 2.462 . . . . 15.0 112.216 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.557 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 62.9 tt0 -69.46 -10.27 57.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.163 0.506 . . . . 15.0 110.965 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.404 ' C ' HD12 ' A' ' 463' ' ' LEU . 48.2 mt-10 -72.96 -21.86 60.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.507 . . . . 15.0 110.342 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 435' ' ' TRP . 7.0 mp -132.66 28.42 4.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.575 -0.739 . . . . 15.0 109.839 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.557 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.42 -0.8 . . . . 15.0 110.528 -177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.578 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 111.53 0.196 . . . . 15.0 111.53 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 86.4 m95 -89.93 111.4 22.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.871 0.367 . . . . 15.0 110.202 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 31.5 m -93.01 125.21 37.49 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.52 -0.548 . . . . 15.0 109.52 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -90.08 110.32 21.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.311 0.577 . . . . 15.0 110.587 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -113.98 114.94 26.86 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.348 -0.842 . . . . 15.0 110.267 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -91.02 116.0 28.45 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.266 -0.642 . . . . 15.0 109.266 173.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 444' ' ' LYS . 15.0 t -89.76 149.29 22.78 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.354 -0.385 . . . . 15.0 110.178 -177.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.9 -3.45 3.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.928 -0.578 . . . . 15.0 112.228 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -75.46 -15.48 60.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.605 0.716 . . . . 15.0 109.932 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.2 31.92 6.99 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.893 -0.67 . . . . 15.0 111.923 -178.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 440' ' ' THR . 43.0 mttp -133.4 139.93 47.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.858 0.361 . . . . 15.0 110.573 -178.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 m -108.07 116.44 31.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.157 -0.474 . . . . 15.0 110.026 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 53.7 p90 -120.88 138.92 53.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.316 0.579 . . . . 15.0 110.96 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.474 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 78.1 m-85 -98.33 114.27 26.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.257 -0.883 . . . . 15.0 110.447 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -101.76 116.31 32.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.923 -0.58 . . . . 15.0 109.992 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.528 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 23.4 t-20 -89.91 117.46 28.74 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.773 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -10.5 59.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.994 0.426 . . . . 15.0 110.792 -176.262 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.578 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 32.9 ttm180 -86.43 -29.09 23.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.396 -0.365 . . . . 15.0 111.001 -176.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.2 p -120.56 -7.81 9.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.449 -0.342 . . . . 15.0 111.471 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 78.9 mt 68.73 26.16 6.2 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.535 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -95.3 136.74 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.574 -0.739 . . . . 15.0 111.118 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -110.38 121.53 45.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.35 -0.611 . . . . 15.0 109.35 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 40.8 p -122.47 145.11 48.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 15.0 111.639 -175.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 92.9 m95 -96.6 12.53 31.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.148 0.499 . . . . 15.0 109.814 174.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -120.89 142.43 49.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.474 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.474 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 40.1 ttmt -78.97 116.99 64.22 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.793 0.33 . . . . 15.0 110.934 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.2 Cg_exo -68.11 151.79 76.94 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.233 2.622 . . . . 15.0 111.627 177.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' GLN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 13.3 tt0 -64.09 -16.61 62.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 15.0 111.376 -176.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.91 -16.69 60.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.058 0.456 . . . . 15.0 110.792 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -119.68 13.59 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 15.0 109.967 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 17.5 tptm . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.479 -0.772 . . . . 15.0 110.502 -174.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 4.2 mt-10 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.833 0.349 . . . . 15.0 111.151 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.474 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 94.0 m95 -90.05 117.25 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.942 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.4 m -115.96 138.71 50.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.234 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -90.06 118.14 29.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.585 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -123.06 122.94 39.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.29 0.567 . . . . 15.0 110.854 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.487 ' HG2' HG23 ' A' ' 445' ' ' THR . 51.2 mtpt -99.82 120.71 40.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.594 -0.73 . . . . 15.0 109.811 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 444' ' ' LYS . 14.9 t -98.3 150.18 21.82 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.931 -0.308 . . . . 15.0 110.511 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.6 -14.65 63.12 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.363 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.27 -21.74 64.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.196 0.522 . . . . 15.0 110.142 175.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 106.26 32.66 3.65 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.769 -0.65 . . . . 15.0 111.91 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.404 ' O ' HG22 ' A' ' 440' ' ' THR . 65.1 mttm -135.52 136.52 41.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.182 0.515 . . . . 15.0 111.007 -178.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 439' ' ' LYS . 24.4 m -108.87 108.94 19.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.695 177.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.467 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 53.2 p90 -121.83 149.99 42.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.133 0.492 . . . . 15.0 111.101 -175.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 456' ' ' THR . 75.4 m-85 -101.71 118.0 36.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.199 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -101.93 119.58 39.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.309 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.474 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 20.9 t-20 -90.04 113.86 25.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.857 -0.794 . . . . 15.0 108.857 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -77.93 -10.81 59.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.264 0.554 . . . . 15.0 111.037 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -85.94 -28.61 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.053 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 31.8 p -123.14 -2.64 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.835 0.309 . . . . 15.0 111.835 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.2 mp 66.86 23.64 9.93 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.872 0.469 . . . . 15.0 110.974 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.51 127.83 42.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.181 -0.463 . . . . 15.0 111.514 -175.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.9 m -104.38 122.43 45.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.231 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 447' ' ' TYR . 9.9 t -113.47 146.16 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.053 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.4 m95 -98.76 -1.47 40.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.296 0.57 . . . . 15.0 110.097 -175.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -122.32 156.39 33.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.308 -0.86 . . . . 15.0 109.804 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 69.0 mttm -67.9 118.79 61.52 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.398 -178.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.711 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 24.7 Cg_endo -62.01 153.52 68.27 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.171 2.581 . . . . 15.0 111.613 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -57.95 -31.1 66.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 15.0 112.29 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.517 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.4 pm0 -85.96 -4.3 59.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.918 0.34 . . . . 15.0 111.918 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.711 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 10.7 mp -116.99 4.89 12.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 15.0 110.563 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.615 -0.707 . . . . 15.0 110.068 -177.674 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 121.056 0.455 . . . . 15.0 111.23 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.447 ' HE3' ' HB3' ' A' ' 447' ' ' TYR . 99.4 m95 -90.63 117.98 29.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.823 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.8 t -124.04 123.79 41.13 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.773 -0.454 . . . . 15.0 109.773 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 11.4 pt-20 -89.86 128.36 36.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.738 0.78 . . . . 15.0 110.127 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 59.1 ttt180 -110.48 117.07 32.57 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.921 -1.036 . . . . 15.0 109.529 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.525 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 42.8 mtmt -91.93 116.12 28.64 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.541 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.8 t -96.27 150.4 20.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.611 -0.722 . . . . 15.0 109.769 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.5 7.07 0.89 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.142 0.423 . . . . 15.0 112.142 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.38 -6.66 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 15.0 109.176 171.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.9 28.05 17.04 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.298 -0.864 . . . . 15.0 112.171 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -142.51 141.19 32.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 15.0 110.615 -175.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.525 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 8.9 t -111.41 137.45 49.17 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.937 -0.574 . . . . 15.0 109.758 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 37.1 p90 -127.19 139.36 52.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.962 0.411 . . . . 15.0 110.316 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 81.2 m-85 -91.58 118.99 31.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.959 -177.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' TYR . . . . . 0.489 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 74.3 t80 -107.31 119.06 38.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.966 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.0 t-20 -104.55 117.62 34.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.643 177.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -86.11 -4.28 59.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.766 0.284 . . . . 15.0 111.766 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -82.96 -44.52 15.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.453 . . . . 15.0 110.686 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 36.0 p -110.28 -1.42 17.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.347 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 453' ' ' LEU . 4.1 mm? 66.78 25.41 9.66 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.538 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.94 118.0 29.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 15.0 111.067 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.489 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 11.6 p -111.26 114.21 27.24 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 173.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -137.41 150.22 47.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.107 0.48 . . . . 15.0 110.989 -174.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.642 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 89.4 m95 -87.1 -1.54 57.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.989 -0.551 . . . . 15.0 109.625 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -83.81 134.67 34.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.428 -0.805 . . . . 15.0 110.525 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.768 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 2.6 ttmp? -78.1 115.06 47.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 175.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.45 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 35.8 Cg_endo -64.45 151.96 83.48 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.257 2.638 . . . . 15.0 112.655 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -60.87 -21.25 63.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.727 -0.67 . . . . 15.0 110.836 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.447 ' C ' HD12 ' A' ' 463' ' ' LEU . 11.7 tp10 -80.71 -16.03 54.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 15.0 111.398 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.45 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 7.3 mp -131.67 17.95 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.481 -0.327 . . . . 15.0 110.929 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.768 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.5 ttpm? . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.065 -0.969 . . . . 15.0 110.767 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 1.027 ' HG3' ' HB3' ' A' ' 451' ' ' ARG . 27.0 tt0 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.43 0.157 . . . . 15.0 110.627 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -116.23 118.05 31.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.009 0.433 . . . . 15.0 111.055 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.8 p -133.78 128.32 34.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.878 -0.601 . . . . 15.0 110.231 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -90.05 131.47 35.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.084 0.469 . . . . 15.0 110.515 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -129.92 120.64 25.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.292 0.568 . . . . 15.0 110.645 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 445' ' ' THR . 54.4 tttp -89.83 108.29 19.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.347 -0.842 . . . . 15.0 108.744 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 444' ' ' LYS . 14.9 t -89.99 150.16 22.25 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.748 -173.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.47 -12.66 10.27 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.691 -0.686 . . . . 15.0 111.994 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -68.24 -9.78 49.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.289 0.566 . . . . 15.0 110.64 175.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.34 25.98 14.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.953 -0.641 . . . . 15.0 112.425 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 440' ' ' THR . 59.3 mttp -136.75 139.08 41.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.947 0.403 . . . . 15.0 110.715 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 11.8 m -106.44 104.12 13.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.078 -0.51 . . . . 15.0 109.743 177.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -116.17 150.1 38.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.918 0.389 . . . . 15.0 110.441 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -97.32 117.55 31.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.3 0.572 . . . . 15.0 110.659 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -90.33 125.81 35.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.401 -0.818 . . . . 15.0 109.987 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.701 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 19.3 t-20 -89.81 117.61 28.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.795 -0.639 . . . . 15.0 109.589 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -94.5 -17.97 21.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.54 0.57 . . . . 15.0 112.54 -169.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 1.027 ' HB3' ' HG3' ' A' ' 434' ' ' GLU . 38.5 ttm180 -92.81 -50.49 5.54 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.146 -0.622 . . . . 15.0 111.935 -176.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.84 1.69 43.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.164 0.431 . . . . 15.0 112.164 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.5 mt 62.05 89.89 0.08 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.654 0.74 . . . . 15.0 111.554 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -149.89 148.94 29.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.415 -0.811 . . . . 15.0 109.883 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.2 p -125.74 102.43 7.32 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.077 0.465 . . . . 15.0 109.828 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.9 t -106.12 142.28 36.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.977 -0.556 . . . . 15.0 110.099 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -107.28 -17.63 14.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.308 0.575 . . . . 15.0 110.181 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -92.47 153.46 19.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.4 -0.818 . . . . 15.0 110.053 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.506 ' HE2' ' HB3' ' A' ' 463' ' ' LEU . 18.8 tptm -67.71 117.41 47.6 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.244 -177.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.531 ' HB2' HD23 ' A' ' 463' ' ' LEU . 25.0 Cg_exo -63.7 145.26 90.98 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 123.002 2.468 . . . . 15.0 111.912 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -41.55 67.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.498 -0.774 . . . . 15.0 110.667 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.24 -21.53 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 15.0 111.998 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 460' ' ' PRO . 3.6 mm? -94.34 -52.89 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.997 -0.372 . . . . 15.0 109.997 178.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? . . . . . 0 C--O 1.249 1.07 0 CA-C-N 115.348 -0.842 . . . . 15.0 110.96 179.636 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 112.312 0.486 . . . . 15.0 112.312 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -92.08 109.84 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.797 0.332 . . . . 15.0 111.163 -177.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.9 t -94.88 140.03 30.5 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.519 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -94.31 118.05 31.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.176 0.512 . . . . 15.0 110.514 -178.706 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 438' ' ' ARG . . . . . 0.424 ' HD2' ' HA ' ' A' ' 438' ' ' ARG . 9.8 tpt180 -119.03 129.58 55.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.014 0.435 . . . . 15.0 110.67 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -89.65 122.08 32.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.978 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 442' ' ' ASP . 23.4 m -107.15 132.35 53.12 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.507 -0.769 . . . . 15.0 109.83 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.44 -4.67 6.07 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.931 -175.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 440' ' ' THR . 18.7 t70 -69.77 -17.64 63.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.426 0.632 . . . . 15.0 110.314 173.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 106.31 16.95 13.32 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.846 -0.693 . . . . 15.0 112.045 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.499 ' HD2' ' CE3' ' A' ' 457' ' ' TRP . 20.9 mttp -124.83 150.11 46.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.783 0.325 . . . . 15.0 110.269 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.3 m -114.06 97.71 6.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.769 -0.826 . . . . 15.0 108.769 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.646 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 19.6 p90 -89.97 134.14 34.4 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.455 0.645 . . . . 15.0 110.218 -173.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.443 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 98.1 m-85 -99.85 116.2 31.36 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.265 -0.88 . . . . 15.0 109.916 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -104.06 124.95 49.97 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.033 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.1 t-20 -89.94 114.84 26.73 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.434 -0.58 . . . . 15.0 109.434 177.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -78.16 -0.3 27.79 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.545 0.572 . . . . 15.0 112.545 -174.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -98.25 -47.38 5.47 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.785 -0.366 . . . . 15.0 110.994 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 44.7 p -103.98 0.89 30.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.588 -0.278 . . . . 15.0 111.411 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.0 mp 62.12 36.07 15.38 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.021 -0.536 . . . . 15.0 110.187 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -89.92 140.31 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.232 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -127.78 122.07 31.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.488 -0.324 . . . . 15.0 110.226 -177.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.0 t -136.33 138.43 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.769 0.318 . . . . 15.0 110.897 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.646 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 89.9 m95 -89.78 -5.41 56.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.24 0.543 . . . . 15.0 109.816 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.73 137.26 51.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.118 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.443 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 37.4 ttmt -58.46 122.52 60.73 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.882 -0.599 . . . . 15.0 112.099 -177.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.3 Cg_exo -68.78 160.5 49.35 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.448 2.765 . . . . 15.0 112.207 178.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -56.85 -27.72 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.997 -1.002 . . . . 15.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -70.11 -13.94 62.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.62 . . . . 15.0 111.396 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.1 mp -124.83 12.05 8.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.014 0.435 . . . . 15.0 110.028 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 11.3 ttpp . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.788 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.603 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 5.1 tp10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.49 0.662 . . . . 15.0 109.627 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 93.2 m95 -92.01 126.65 37.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.181 -0.918 . . . . 15.0 110.412 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.7 p -103.35 123.75 47.4 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.9 -0.408 . . . . 15.0 109.9 172.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -89.81 116.87 28.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.864 0.364 . . . . 15.0 110.741 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -119.18 108.06 14.21 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.133 0.492 . . . . 15.0 110.33 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 439' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 439' ' ' LYS . 5.0 ttmp? -96.92 112.79 24.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.641 -0.709 . . . . 15.0 109.593 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.7 t -101.47 149.92 23.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.825 0.345 . . . . 15.0 111.085 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.88 -5.98 3.36 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.581 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.0 -14.91 61.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.386 0.612 . . . . 15.0 109.889 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 97.44 19.28 25.88 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.686 -0.688 . . . . 15.0 111.676 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -129.85 143.74 50.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.815 0.34 . . . . 15.0 110.583 -173.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.7 m -121.27 102.46 8.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.438 -0.579 . . . . 15.0 109.438 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.588 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 21.0 p90 -110.38 132.61 54.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.551 0.691 . . . . 15.0 110.842 -176.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' TYR . . . . . 0.418 ' CE2' HD22 ' A' ' 463' ' ' LEU . 85.7 m-85 -91.69 120.89 32.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.634 -1.167 . . . . 15.0 110.146 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -98.95 118.31 35.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.009 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.729 ' OD1' ' HG3' ' A' ' 451' ' ' ARG . 26.4 t-20 -89.96 122.33 32.89 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.394 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.519 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 20.1 m120 -92.21 -13.38 30.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.76 0.652 . . . . 15.0 112.76 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.729 ' HG3' ' OD1' ' A' ' 449' ' ' ASN . 0.2 OUTLIER -77.82 -13.28 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.233 -0.587 . . . . 15.0 110.306 -175.877 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 452' ' ' THR . . . . . 0.543 HG23 ' HD3' ' A' ' 451' ' ' ARG . 10.7 p -142.26 -88.72 0.14 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.128 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 453' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.6 tt 172.48 86.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.635 -1.246 . . . . 15.0 107.635 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' GLU . . . . . 0.627 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 13.1 tp10 -134.75 126.25 28.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.679 -173.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.0 p -108.37 102.05 11.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.09 0.472 . . . . 15.0 109.91 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 458' ' ' GLU . 21.7 m -107.68 125.67 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.758 -174.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.588 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 98.5 m95 -93.83 -4.22 50.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 15.0 111.95 -173.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 456' ' ' THR . 0.9 OUTLIER -123.36 148.18 46.3 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.039 -1.097 . . . . 15.0 108.039 175.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 44.5 mtpt -58.67 119.22 34.98 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.945 0.402 . . . . 15.0 111.352 -174.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.4 Cg_endo -58.33 154.53 40.38 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.267 2.644 . . . . 15.0 111.694 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -61.59 -9.35 5.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.775 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 462' ' ' GLU . . . . . 0.446 ' C ' HD12 ' A' ' 463' ' ' LEU . 30.9 mt-10 -88.78 -15.61 34.2 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.671 0.249 . . . . 15.0 111.671 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 462' ' ' GLU . 7.7 mp -130.09 -2.13 4.58 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.693 -0.231 . . . . 15.0 111.43 -176.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 49.9 tttp . . . . . 0 C--O 1.254 1.332 0 CA-C-O 118.431 -0.795 . . . . 15.0 111.885 -171.394 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 434' ' ' GLU . . . . . 0.641 ' HG2' ' CB ' ' A' ' 451' ' ' ARG . 5.6 tp10 . . . . . 0 N--CA 1.467 0.42 0 CA-C-O 120.845 0.355 . . . . 15.0 111.408 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.7 m95 -89.81 113.06 24.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.107 0.479 . . . . 15.0 110.994 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.3 m -109.14 115.96 31.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.201 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -89.9 131.81 35.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.286 0.565 . . . . 15.0 110.774 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -120.57 116.41 25.32 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.089 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -90.01 115.89 27.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.759 -0.655 . . . . 15.0 109.93 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 440' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.5 t -90.02 146.83 24.06 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.96 -8.44 22.64 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.555 -175.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.27 -23.23 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.406 173.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 104.67 30.4 4.93 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.743 -0.741 . . . . 15.0 112.027 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' LYS . . . . . 0.401 ' O ' HG22 ' A' ' 440' ' ' THR . 30.8 mtmm -132.05 138.44 48.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.859 0.361 . . . . 15.0 110.516 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.5 m -114.3 100.22 8.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.081 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' TYR . . . . . 0.523 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 55.9 p90 -99.37 139.92 34.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.266 0.555 . . . . 15.0 110.427 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -97.54 118.57 34.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.567 -0.742 . . . . 15.0 110.189 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -104.73 119.91 40.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.195 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' ASN . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 14.5 t-20 -89.97 116.59 28.13 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' ASN . . . . . 0.429 ' H ' ' HG3' ' A' ' 434' ' ' GLU . 28.5 t-20 -78.81 -14.85 59.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.437 -0.347 . . . . 15.0 111.783 -172.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ARG . . . . . 0.641 ' CB ' ' HG2' ' A' ' 434' ' ' GLU . 31.3 ttp180 -92.96 -29.45 15.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 15.0 111.399 -176.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 39.6 p -110.36 -4.83 15.42 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.781 -0.368 . . . . 15.0 111.387 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 11.2 mp 63.59 24.1 13.85 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.976 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -92.45 119.76 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.837 -0.62 . . . . 15.0 111.235 -174.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -105.96 117.32 33.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.707 -0.479 . . . . 15.0 109.707 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.5 t -121.4 148.38 44.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.154 -0.476 . . . . 15.0 110.787 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 457' ' ' TRP . . . . . 0.523 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.4 m95 -93.9 -1.24 55.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 15.0 109.62 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -101.82 151.46 22.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.196 -0.911 . . . . 15.0 110.027 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 68.5 mttm -80.19 118.44 72.43 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.864 -0.421 . . . . 15.0 109.864 176.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.512 ' HD2' HD23 ' A' ' 463' ' ' LEU . 32.4 Cg_exo -59.28 156.33 35.84 Favored 'Trans proline' 0 CA--C 1.52 -0.219 0 C-N-CA 123.492 2.795 . . . . 15.0 112.095 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -60.78 -17.67 50.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.593 -0.731 . . . . 15.0 111.36 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -73.01 -24.78 60.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.532 -0.304 . . . . 15.0 111.048 176.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' LEU . . . . . 0.512 HD23 ' HD2' ' A' ' 460' ' ' PRO . 2.5 mm? -109.84 -26.15 9.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.564 0.221 . . . . 15.0 111.186 -177.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 464' ' ' LYS . . . . . 0.431 ' C ' ' HE2' ' A' ' 464' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.563 -0.732 . . . . 15.0 109.982 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.503 -0.554 . . . . 15.0 109.503 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.3 p -70.2 93.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.257 0.551 . . . . 15.0 110.983 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.651 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -80.72 24.94 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.027 179.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -89.9 104.5 17.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.136 0.493 . . . . 15.0 110.148 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.7 p -102.64 123.54 46.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.435 -0.802 . . . . 15.0 109.697 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 437' ' ' GLU . 9.3 pt-20 -90.25 115.7 27.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.424 0.631 . . . . 15.0 110.712 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.423 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 79.2 ttt180 -101.82 112.88 25.65 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.416 -0.811 . . . . 15.0 109.676 177.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.573 ' HG2' HG23 ' A' ' 445' ' ' THR . 75.3 mttt -92.29 104.8 17.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.388 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 444' ' ' LYS . 11.0 t -90.07 149.21 22.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.753 -174.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.98 -12.19 47.2 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.803 -0.635 . . . . 15.0 111.228 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.53 -12.57 45.92 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.742 -0.663 . . . . 15.0 110.215 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.9 26.66 10.22 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.872 -0.604 . . . . 15.0 112.134 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 440' ' ' THR . 61.8 mttp -136.56 140.34 42.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.953 0.406 . . . . 15.0 110.882 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.573 HG23 ' HG2' ' A' ' 439' ' ' LYS . 41.1 m -115.24 100.26 8.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.964 -0.562 . . . . 15.0 109.955 176.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.469 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 25.4 p90 -101.27 139.35 37.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.164 0.507 . . . . 15.0 109.862 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 459' ' ' LYS . 83.5 m-85 -94.27 116.04 28.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.784 -0.644 . . . . 15.0 110.248 -176.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -108.09 121.05 44.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.209 -0.905 . . . . 15.0 110.18 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.0 t-20 -90.2 114.22 26.16 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.382 -0.599 . . . . 15.0 109.382 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.6 -1.57 38.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 15.0 111.164 -173.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.651 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 16.8 tpp180 -96.13 -51.42 4.43 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.069 -0.252 . . . . 15.0 110.683 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.3 p -95.6 -3.43 46.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.562 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 66.12 30.91 9.16 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.281 0.562 . . . . 15.0 110.14 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -89.68 129.27 36.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.61 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.4 p -123.83 113.14 18.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.872 0.368 . . . . 15.0 110.284 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -131.02 149.98 52.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.85 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 88.3 m95 -94.83 3.17 55.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.398 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -124.35 126.9 46.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.8 -0.636 . . . . 15.0 109.533 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.871 ' H ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -70.71 127.78 91.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 121.156 0.503 . . . . 15.0 111.763 -175.051 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -51.08 165.18 0.53 Allowed 'Trans proline' 0 N--CA 1.475 0.436 0 C-N-CA 124.233 3.288 . . . . 15.0 113.172 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.07 -23.5 7.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.921 -1.036 . . . . 15.0 111.666 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.33 -22.86 67.14 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.344 0.592 . . . . 15.0 110.641 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 459' ' ' LYS . 62.0 mt -119.52 -73.3 0.65 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.496 -0.775 . . . . 15.0 109.675 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.539 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.243 0.727 0 O-C-N 123.94 0.775 . . . . 15.0 111.248 175.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 29.4 m . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 59.1 m -53.96 104.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 170.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.552 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 2.0 mt-10 -130.5 52.24 2.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.3 -169.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -90.08 119.66 30.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.184 -0.916 . . . . 15.0 110.464 -176.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 15.4 t -95.91 135.57 37.49 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.152 -0.685 . . . . 15.0 109.152 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -89.78 102.43 15.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.859 0.837 . . . . 15.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 438' ' ' ARG . 20.3 tpt180 -97.22 113.75 25.39 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.198 -0.91 . . . . 15.0 109.775 177.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -89.84 106.23 18.33 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.11 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 m -91.77 136.14 33.37 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.856 -1.065 . . . . 15.0 110.683 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.29 2.6 1.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.106 0.41 . . . . 15.0 112.106 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.99 -1.16 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.481 0.658 . . . . 15.0 109.595 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 17.87 52.25 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.549 -0.75 . . . . 15.0 111.696 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -136.01 137.84 41.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.91 0.386 . . . . 15.0 110.417 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 29.0 m -104.6 99.72 9.39 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.291 -0.633 . . . . 15.0 109.291 174.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.456 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.9 p90 -90.07 131.36 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 -175.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -93.88 122.84 36.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.668 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.595 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 88.8 t80 -116.29 123.69 48.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.336 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.552 ' ND2' ' H ' ' A' ' 434' ' ' GLU . 22.3 t-20 -89.76 111.16 22.08 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.441 -0.948 . . . . 15.0 108.441 176.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.12 -13.93 61.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.151 -0.477 . . . . 15.0 111.444 -173.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 451' ' ' ARG . 8.8 tpt180 -84.55 -49.54 8.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.405 -0.362 . . . . 15.0 111.205 -177.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.3 p -102.01 0.23 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.702 0.26 . . . . 15.0 111.702 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.5 mp 65.12 28.22 12.28 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.147 -0.478 . . . . 15.0 111.18 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -89.73 119.77 30.42 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.91 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.595 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 3.5 p -116.49 124.04 48.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.738 0.304 . . . . 15.0 110.734 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.4 t -135.34 147.26 49.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.493 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.456 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.2 m95 -95.86 -12.23 25.54 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.191 0.519 . . . . 15.0 110.024 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -97.34 146.49 25.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.745 -0.835 . . . . 15.0 108.745 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -66.08 122.52 81.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 123.226 0.329 . . . . 15.0 111.133 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -58.3 153.55 46.23 Favored 'Trans proline' 0 CA--C 1.514 -0.502 0 C-N-CA 122.71 2.273 . . . . 15.0 110.31 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -56.65 -27.22 58.1 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 123.356 0.41 . . . . 15.0 111.929 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.42 -11.09 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 15.0 111.485 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 75.5 mt -134.77 12.88 3.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.009 -0.541 . . . . 15.0 111.407 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 49.3 tptt . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.949 -0.548 . . . . 15.0 111.043 -174.006 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.884 0.373 . . . . 15.0 111.057 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 58.6 m -77.02 124.83 28.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.191 -0.459 . . . . 15.0 111.095 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.77 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 7.8 tp10 -108.08 13.35 26.07 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.069 -0.715 . . . . 15.0 109.069 172.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -89.74 112.55 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.731 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.2 p -98.16 146.73 25.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.579 -0.282 . . . . 15.0 111.084 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -89.62 120.19 30.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.149 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.436 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 69.6 ttt180 -126.5 105.2 8.58 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.717 -0.393 . . . . 15.0 110.939 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.789 ' HG2' HG23 ' A' ' 445' ' ' THR . 9.9 mtmp? -97.41 107.08 19.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.1 t -91.5 150.23 21.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.705 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.18 -4.66 1.2 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.609 0.596 . . . . 15.0 112.609 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -79.18 2.41 21.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.569 0.699 . . . . 15.0 109.716 175.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.27 30.25 38.03 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.645 -0.707 . . . . 15.0 112.242 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -134.26 136.3 43.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.234 0.54 . . . . 15.0 111.169 -175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.789 HG23 ' HG2' ' A' ' 439' ' ' LYS . 13.1 m -112.83 102.85 10.84 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.031 -0.986 . . . . 15.0 109.411 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 12.8 p90 -119.92 150.14 40.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.977 0.418 . . . . 15.0 110.673 -175.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -101.38 125.77 48.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.608 -0.724 . . . . 15.0 111.176 -175.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -115.46 122.03 44.52 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.389 -0.823 . . . . 15.0 110.002 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -90.01 117.32 28.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.202 -0.666 . . . . 15.0 109.202 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -81.02 -0.11 38.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.559 -173.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.77 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 12.5 ttm180 -108.86 -28.03 9.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.819 0.342 . . . . 15.0 111.192 -177.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 70.9 p -112.65 -2.6 14.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.827 0.346 . . . . 15.0 110.898 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.5 mp 60.86 34.35 19.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.227 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -96.92 117.32 30.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.375 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.0 p -102.71 109.76 21.46 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.9 t -123.99 149.96 45.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.787 0.327 . . . . 15.0 110.647 -176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -96.39 -1.09 48.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.075 0.464 . . . . 15.0 110.87 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -106.48 139.01 41.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 15.0 110.037 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.675 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 21.8 ttmm -68.98 120.23 74.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 110.357 -0.238 . . . . 15.0 110.357 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.0 Cg_exo -67.38 154.25 74.46 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.947 2.431 . . . . 15.0 112.105 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -63.48 -14.88 55.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.596 -0.729 . . . . 15.0 112.214 -176.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -88.11 -9.36 53.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.281 -0.262 . . . . 15.0 111.527 -177.668 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 34.4 mt -126.44 11.82 7.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 15.0 110.93 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.675 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.6 ttpm? . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.597 -0.716 . . . . 15.0 110.192 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.998 0.428 . . . . 15.0 110.831 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 28.3 m -141.92 123.81 15.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.058 -0.519 . . . . 15.0 109.999 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.651 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 4.0 tp10 -98.53 24.84 6.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.881 0.372 . . . . 15.0 110.438 -177.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -90.17 123.19 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.062 0.458 . . . . 15.0 111.312 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.3 m -121.66 125.63 47.12 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.161 -0.681 . . . . 15.0 109.161 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.494 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.6 pt-20 -89.79 125.74 35.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.732 0.777 . . . . 15.0 110.577 -177.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.437 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 48.7 ttt180 -113.85 113.58 25.09 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.003 -0.999 . . . . 15.0 109.979 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.459 ' HG2' ' CB ' ' A' ' 445' ' ' THR . 46.4 mttm -93.2 110.44 21.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.905 -0.589 . . . . 15.0 109.565 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.8 t -90.08 150.3 22.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.885 -0.598 . . . . 15.0 110.607 -176.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.68 -9.56 9.53 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.065 -175.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -65.36 -22.86 66.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.405 0.622 . . . . 15.0 110.323 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.31 35.83 3.77 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.81 -0.71 . . . . 15.0 112.032 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -142.32 141.36 32.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.015 0.436 . . . . 15.0 110.575 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.459 ' CB ' ' HG2' ' A' ' 439' ' ' LYS . 3.6 t -116.66 112.14 20.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.0 178.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.437 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 36.0 p90 -112.89 148.1 35.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.448 . . . . 15.0 110.558 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.558 ' CE2' ' HG ' ' A' ' 463' ' ' LEU . 62.4 m-85 -95.5 118.93 33.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -107.58 115.98 31.13 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.435 -0.802 . . . . 15.0 110.406 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 17.6 t-20 -90.04 111.34 22.42 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.867 -0.79 . . . . 15.0 108.867 175.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -74.24 -13.83 60.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.838 0.351 . . . . 15.0 111.517 -174.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.651 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 44.9 ttt180 -87.83 -29.62 20.8 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.158 -0.217 . . . . 15.0 111.365 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.6 p -114.75 -6.45 12.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.651 0.241 . . . . 15.0 111.651 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 87.0 mt 67.86 23.39 8.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.178 0.514 . . . . 15.0 110.179 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -90.02 132.8 35.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.933 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 30.2 p -120.02 113.44 20.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.786 0.327 . . . . 15.0 110.437 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.51 ' HB ' ' OE2' ' A' ' 458' ' ' GLU . 73.2 p -110.85 147.11 35.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.543 -0.299 . . . . 15.0 110.491 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -93.02 -3.79 53.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.448 0.642 . . . . 15.0 109.914 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.51 ' OE2' ' HB ' ' A' ' 456' ' ' THR . 0.8 OUTLIER -124.83 145.31 49.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.006 -0.997 . . . . 15.0 109.547 177.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -71.4 119.29 72.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.895 0.378 . . . . 15.0 110.969 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.844 ' HD2' HD23 ' A' ' 463' ' ' LEU . 52.5 Cg_exo -57.52 161.77 11.42 Favored 'Trans proline' 0 CA--C 1.517 -0.329 0 C-N-CA 122.749 2.3 . . . . 15.0 111.243 170.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -51.04 -24.32 3.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.207 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.62 -17.28 61.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.682 0.277 . . . . 15.0 111.432 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.844 HD23 ' HD2' ' A' ' 460' ' ' PRO . 1.0 OUTLIER -121.88 8.82 9.95 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.4 tmtp? . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.42 -0.8 . . . . 15.0 109.797 -174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.7 0.286 . . . . 15.0 110.554 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.5 p -152.3 126.88 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.218 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 6.3 tp10 -146.85 25.15 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.408 0.623 . . . . 15.0 109.917 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.405 ' HE3' ' HB3' ' A' ' 447' ' ' TYR . 81.5 m95 -97.4 120.75 38.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.307 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 26.6 m -90.09 109.7 20.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.986 -0.552 . . . . 15.0 109.676 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -89.98 123.38 33.84 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.608 -0.724 . . . . 15.0 109.769 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.472 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 66.7 ttt180 -147.23 134.26 20.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.197 -0.456 . . . . 15.0 110.82 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 3.3 mppt? -89.66 127.39 35.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.052 0.453 . . . . 15.0 110.367 175.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.14 148.75 22.79 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.277 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.06 -18.19 22.93 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.296 0.48 . . . . 15.0 112.296 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.27 -6.32 49.22 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.18 0.514 . . . . 15.0 111.043 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.01 41.74 6.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.825 -0.702 . . . . 15.0 111.658 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm -126.28 143.52 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.409 -0.219 . . . . 15.0 110.409 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.1 m -111.32 101.36 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.466 -0.568 . . . . 15.0 109.466 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.472 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 18.8 p90 -109.59 137.81 46.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.124 0.488 . . . . 15.0 110.161 -176.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 455' ' ' SER . 79.5 m-85 -103.03 114.37 28.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.752 -0.658 . . . . 15.0 110.502 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -97.22 107.2 19.67 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.416 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 25.1 t-20 -89.96 129.16 36.34 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.831 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -99.96 -2.05 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.652 0.612 . . . . 15.0 112.652 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.488 ' HB3' ' HG2' ' A' ' 434' ' ' GLU . 4.3 ptm180 -96.82 -24.42 15.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 120.178 -0.609 . . . . 15.0 111.459 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 36.3 p -126.96 -3.98 6.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.524 0.202 . . . . 15.0 110.966 176.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 58.96 77.8 0.29 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.521 0.677 . . . . 15.0 111.314 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -150.09 134.88 17.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.89 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 27.9 t -110.38 111.11 22.17 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.492 -0.559 . . . . 15.0 109.492 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 48.5 p -104.82 149.97 25.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.128 -176.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -105.36 -5.4 20.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.068 -0.715 . . . . 15.0 109.068 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -97.02 149.58 21.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.047 -0.979 . . . . 15.0 109.709 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.447 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 3.6 tmtp? -76.81 111.07 13.86 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.653 -0.499 . . . . 15.0 109.653 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.0 Cg_exo -68.88 141.0 47.57 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.121 2.547 . . . . 15.0 111.83 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.851 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 10.1 tt0 -66.63 -17.9 65.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.107 0.479 . . . . 15.0 111.114 -178.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -68.37 -14.98 63.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.258 0.551 . . . . 15.0 110.438 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.447 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 8.7 mp -128.33 11.82 6.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.228 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.851 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 38.1 ttpt . . . . . 0 C--O 1.248 1.014 0 O-C-N 123.884 0.74 . . . . 15.0 112.619 -170.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 110.008 -0.367 . . . . 15.0 110.008 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.0 p 54.74 103.86 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.01 0.924 . . . . 15.0 112.29 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER -80.28 18.86 0.82 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.418 -0.81 . . . . 15.0 111.953 -175.562 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.521 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 97.5 m95 -89.74 116.96 28.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.675 0.274 . . . . 15.0 110.3 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.7 t -121.94 136.38 54.92 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.439 -0.578 . . . . 15.0 109.439 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -90.0 107.94 19.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.997 0.904 . . . . 15.0 110.247 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.605 ' HD2' ' CE2' ' A' ' 446' ' ' TYR . 0.7 OUTLIER -90.06 125.71 35.51 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.723 -1.126 . . . . 15.0 109.007 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -89.79 118.15 29.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.367 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.2 m -89.91 131.51 35.79 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.373 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.32 -5.85 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.317 0.488 . . . . 15.0 112.317 -173.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -80.55 -9.63 59.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.024 0.44 . . . . 15.0 110.683 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.16 36.44 3.63 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.829 -0.701 . . . . 15.0 112.508 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 444' ' ' LYS . 6.6 ptpt -150.26 150.08 31.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.132 -0.321 . . . . 15.0 110.132 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.9 t -113.64 139.55 48.94 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.137 -0.32 . . . . 15.0 110.137 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.605 ' CE2' ' HD2' ' A' ' 438' ' ' ARG . 23.0 p90 -129.72 138.45 51.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.826 -0.435 . . . . 15.0 109.826 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 455' ' ' SER . 29.6 m-85 -90.13 124.14 34.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.071 0.462 . . . . 15.0 111.284 -176.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -112.98 125.91 54.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.452 -0.794 . . . . 15.0 109.845 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.6 t-20 -107.55 119.17 38.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.147 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -72.31 -15.36 61.89 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.403 0.439 . . . . 15.0 111.836 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.505 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 51.7 ttp180 -83.82 -42.01 16.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.637 0.256 . . . . 15.0 111.342 -177.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.587 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.1 t -105.85 -4.28 20.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.556 -0.293 . . . . 15.0 110.885 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.9 mp 62.32 32.72 16.89 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.824 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.587 ' HB2' HG23 ' A' ' 452' ' ' THR . 4.8 mm-40 -105.78 134.97 48.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.63 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 22.8 p -119.73 112.07 18.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.247 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.2 t -128.18 150.08 50.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.937 0.399 . . . . 15.0 111.012 -173.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 89.0 m95 -93.19 -3.64 53.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.987 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -114.88 140.42 48.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.425 -0.583 . . . . 15.0 109.425 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.408 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 89.4 mttt -69.55 119.14 68.91 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.999 0.428 . . . . 15.0 111.244 -176.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.481 ' HD2' HD23 ' A' ' 463' ' ' LEU . 37.1 Cg_exo -62.82 160.51 32.83 Favored 'Trans proline' 0 CA--C 1.517 -0.353 0 C-N-CA 123.554 2.836 . . . . 15.0 112.086 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -62.93 -10.49 13.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.298 -0.864 . . . . 15.0 111.575 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.67 -11.51 55.75 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.117 -0.364 . . . . 15.0 110.847 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.481 HD23 ' HD2' ' A' ' 460' ' ' PRO . 3.0 mm? -119.32 -13.06 9.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.1 0.476 . . . . 15.0 110.243 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.253 -0.879 . . . . 15.0 110.239 -176.807 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.326 0.584 . . . . 15.0 110.423 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.0 m -125.22 111.02 14.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.034 0.445 . . . . 15.0 111.549 -175.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.549 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -138.02 22.15 2.83 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.043 -1.095 . . . . 15.0 108.043 170.879 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -95.29 127.57 41.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.338 -1.301 . . . . 15.0 110.426 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 12.7 t -109.15 135.37 50.39 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.901 -0.778 . . . . 15.0 108.901 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.467 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -91.83 112.61 24.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.652 0.739 . . . . 15.0 110.582 -176.212 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -108.83 119.38 39.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.378 -0.828 . . . . 15.0 110.176 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 445' ' ' THR . 20.8 ptmt -97.31 120.05 36.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.451 0.643 . . . . 15.0 110.389 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 15.1 t -90.12 150.52 22.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.221 -0.9 . . . . 15.0 109.628 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.97 -11.85 3.88 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.639 0.607 . . . . 15.0 112.639 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.62 -12.47 61.67 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.185 0.517 . . . . 15.0 110.629 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 95.0 26.94 11.6 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.007 -0.616 . . . . 15.0 111.812 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -126.55 130.76 51.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.832 0.348 . . . . 15.0 110.409 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 77.9 m -103.64 109.83 21.67 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.509 -0.552 . . . . 15.0 109.509 177.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.564 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 45.2 p90 -108.89 138.63 44.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.215 -0.448 . . . . 15.0 109.854 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.412 ' CD1' ' HD3' ' A' ' 460' ' ' PRO . 88.9 m-85 -93.0 122.91 35.85 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.557 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -109.68 117.83 34.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.358 -0.837 . . . . 15.0 110.803 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -96.37 118.35 32.73 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.931 -0.766 . . . . 15.0 108.931 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -93.47 -7.6 43.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.152 0.501 . . . . 15.0 111.007 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.549 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 6.6 tpp180 -84.93 -35.15 22.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.954 0.407 . . . . 15.0 110.841 -178.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -113.65 -9.74 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.148 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 48.8 tp 64.77 82.83 0.18 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.486 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -146.19 135.17 22.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.262 -0.881 . . . . 15.0 110.053 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.6 p -130.81 113.11 13.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.935 -0.394 . . . . 15.0 109.935 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.5 t -128.79 149.88 50.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.473 -0.33 . . . . 15.0 110.686 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.3 m95 -90.28 -4.25 57.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.159 0.504 . . . . 15.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -98.84 139.13 34.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.078 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 41.0 ttmt -65.65 125.94 90.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.249 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 38.5 Cg_exo -61.18 143.52 98.6 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.897 2.398 . . . . 15.0 112.21 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -54.36 -29.13 47.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.44 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.53 -9.54 58.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.003 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.62 8.06 5.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.182 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.498 -0.763 . . . . 15.0 110.522 -177.497 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.2 m 77.08 110.18 0.07 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.556 0.742 . . . . 15.0 111.003 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.556 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.9 OUTLIER -131.41 93.32 3.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.424 -0.807 . . . . 15.0 108.971 -179.222 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -133.87 109.15 8.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.09 0.471 . . . . 15.0 111.138 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 21.5 m -103.02 131.2 50.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.0 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -89.81 128.22 36.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.208 0.528 . . . . 15.0 110.112 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -120.28 113.66 20.72 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.813 -0.631 . . . . 15.0 109.914 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -103.98 107.93 19.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.969 -0.559 . . . . 15.0 109.608 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.9 t -89.95 150.0 22.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.251 -0.431 . . . . 15.0 110.562 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.08 -5.22 12.31 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.39 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.15 -9.92 59.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.375 0.607 . . . . 15.0 110.001 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.78 31.78 8.0 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.852 -0.613 . . . . 15.0 112.38 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -133.6 138.09 45.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.05 0.452 . . . . 15.0 110.735 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.3 m -113.69 108.11 16.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.607 -0.724 . . . . 15.0 109.745 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.599 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 49.3 p90 -118.52 140.99 49.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.103 0.478 . . . . 15.0 110.734 -177.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.427 ' OH ' ' HD3' ' A' ' 459' ' ' LYS . 23.7 m-85 -97.98 128.11 44.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.427 0.632 . . . . 15.0 110.84 -176.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -116.59 118.79 33.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.812 -1.086 . . . . 15.0 110.789 -174.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -93.27 117.71 30.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.311 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -97.6 -5.71 34.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.219 0.533 . . . . 15.0 110.621 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.556 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 22.5 tpt180 -78.53 -39.57 37.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.692 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.2 p -122.24 -4.21 8.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 15.0 111.555 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 65.3 80.4 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.575 0.702 . . . . 15.0 110.5 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -145.2 120.07 9.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.078 -0.964 . . . . 15.0 109.792 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.5 t -114.57 126.53 55.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.906 0.384 . . . . 15.0 110.209 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.0 t -128.24 144.36 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.55 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.599 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 90.6 m95 -90.64 -4.81 56.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.202 0.525 . . . . 15.0 110.187 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -109.23 118.51 36.91 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.706 -0.849 . . . . 15.0 108.706 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.783 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 32.8 ttpt -60.57 123.05 72.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 15.0 111.624 -175.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -52.46 141.77 50.42 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.975 2.45 . . . . 15.0 112.28 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 56.0 tp60 -58.83 -22.55 59.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 15.0 111.745 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -70.47 -19.15 62.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.179 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.469 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 6.1 mp -125.32 4.33 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.546 -0.297 . . . . 15.0 110.629 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.783 ' HA ' ' HE3' ' A' ' 459' ' ' LYS . 31.8 ttmt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.59 -0.719 . . . . 15.0 111.486 -172.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.176 0.512 . . . . 15.0 110.101 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.8 m -108.65 115.56 30.32 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.189 -0.46 . . . . 15.0 110.981 -174.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.642 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 5.0 tt0 -137.16 62.49 1.59 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.205 -1.035 . . . . 15.0 108.205 173.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -90.17 110.4 21.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.537 -0.756 . . . . 15.0 111.783 -168.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 44.1 m -92.91 113.4 25.67 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.005 -0.998 . . . . 15.0 108.907 171.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -91.64 120.83 32.75 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.056 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.458 HH11 ' HD2' ' A' ' 438' ' ' ARG . 17.1 ttp180 -133.03 144.08 49.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.134 0.493 . . . . 15.0 110.281 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -89.95 125.85 35.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.798 -0.637 . . . . 15.0 110.283 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.486 HG22 ' H ' ' A' ' 442' ' ' ASP . 94.4 m -90.05 139.42 30.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.412 -0.813 . . . . 15.0 109.191 176.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.65 -14.89 23.34 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.675 0.62 . . . . 15.0 112.675 -172.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.553 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 30.8 t70 -73.24 -16.8 61.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.104 0.478 . . . . 15.0 110.61 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.54 27.86 6.6 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.807 -0.711 . . . . 15.0 111.668 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.553 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 66.3 mttm -121.64 135.41 54.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.859 0.361 . . . . 15.0 110.487 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.2 m -97.48 113.63 25.35 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.718 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -110.65 139.23 46.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.735 -0.469 . . . . 15.0 109.735 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -100.33 112.57 24.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.76 -0.654 . . . . 15.0 109.94 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -103.99 116.37 32.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.492 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.642 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 39.8 t-20 -89.61 112.42 23.63 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.477 -0.934 . . . . 15.0 108.477 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -71.63 -25.43 62.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.411 -0.813 . . . . 15.0 112.095 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.475 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 22.4 ttm180 -77.85 -35.73 50.76 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.95 -0.3 . . . . 15.0 111.356 -175.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.3 p -109.44 -8.26 15.06 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.895 -0.322 . . . . 15.0 111.809 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.5 mp 69.77 22.28 6.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.273 0.629 . . . . 15.0 110.616 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.41 122.11 32.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.796 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.0 m -106.66 113.34 26.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.465 -0.334 . . . . 15.0 110.291 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 53.3 p -104.55 136.89 43.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.021 0.438 . . . . 15.0 110.626 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -98.88 0.69 44.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.317 0.58 . . . . 15.0 109.583 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -121.58 146.63 46.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.191 -0.913 . . . . 15.0 109.783 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 41.4 mttm -57.53 129.02 80.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 113.026 0.75 . . . . 15.0 113.026 -175.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 18.4 Cg_exo -69.01 147.64 68.12 Favored 'Trans proline' 0 C--O 1.238 0.523 0 C-N-CA 123.283 2.655 . . . . 15.0 111.573 175.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -70.85 -18.12 62.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.212 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -78.46 -8.98 59.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.955 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 7.4 mp -117.79 -65.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.994 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.306 -0.854 . . . . 15.0 110.081 -176.22 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 121.53 0.681 . . . . 15.0 110.584 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.3 m -99.59 101.5 12.73 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.819 -0.628 . . . . 15.0 111.533 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.655 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 5.4 tp10 -135.08 16.88 3.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.864 -1.162 . . . . 15.0 107.864 170.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -89.89 127.95 36.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.793 -1.094 . . . . 15.0 110.511 -173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.9 p -109.97 139.94 44.52 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.606 -0.724 . . . . 15.0 109.613 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -99.72 124.3 44.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.216 0.531 . . . . 15.0 110.195 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -122.56 112.49 18.07 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.201 -0.454 . . . . 15.0 110.339 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -90.12 111.9 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.736 -0.666 . . . . 15.0 109.424 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 444' ' ' LYS . 13.5 t -102.15 150.02 23.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.48 -0.327 . . . . 15.0 110.163 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.65 3.36 3.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.03 0.443 . . . . 15.0 111.739 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.51 -4.15 44.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.513 0.673 . . . . 15.0 109.359 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 31.87 10.51 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.387 -0.824 . . . . 15.0 112.338 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 440' ' ' THR . 77.0 mttt -144.85 138.31 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.309 0.576 . . . . 15.0 111.293 -174.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 37.0 m -113.19 101.72 9.69 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.392 -0.822 . . . . 15.0 109.391 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.472 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 49.9 p90 -101.43 142.91 32.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.966 0.412 . . . . 15.0 110.606 -176.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -100.78 123.23 44.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.422 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.641 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 81.7 t80 -111.07 120.71 43.25 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.744 -0.662 . . . . 15.0 110.657 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.52 ' OD1' ' HB3' ' A' ' 434' ' ' GLU . 42.8 t-20 -89.82 114.97 26.78 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.158 -0.682 . . . . 15.0 109.158 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -74.13 -19.85 60.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.092 -0.504 . . . . 15.0 111.637 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.655 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 17.2 ttm180 -88.66 -30.15 19.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.702 0.287 . . . . 15.0 111.476 -173.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 31.1 p -113.66 -1.16 14.09 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.951 -0.3 . . . . 15.0 111.173 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.8 mp 64.81 22.44 12.53 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.758 -0.655 . . . . 15.0 111.11 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -92.76 111.49 23.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.4 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.641 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 7.2 p -101.06 120.68 40.55 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.01 -0.541 . . . . 15.0 109.897 175.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -129.44 150.21 50.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.279 0.561 . . . . 15.0 111.447 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.6 m95 -90.1 1.53 56.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.826 178.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -107.21 135.68 48.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.866 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 37.5 ttpt -72.15 119.99 77.8 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.914 0.387 . . . . 15.0 110.616 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 22.7 Cg_exo -67.01 152.9 79.47 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 123.485 2.79 . . . . 15.0 111.904 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.71 -15.36 52.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.52 -178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.74 -21.91 65.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.015 0.436 . . . . 15.0 110.532 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.422 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 3.3 mm? -123.57 24.95 8.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.666 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.089 -0.959 . . . . 15.0 112.317 -175.198 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.801 0.334 . . . . 15.0 110.105 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.7 p -74.74 108.17 7.31 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.122 -0.695 . . . . 15.0 109.122 172.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.976 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 1.2 mp0 -77.38 12.41 1.55 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.651 -0.249 . . . . 15.0 111.251 -175.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 81.6 m95 -89.65 110.1 21.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.372 -0.377 . . . . 15.0 110.484 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.1 m -104.46 110.3 22.52 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.479 -0.563 . . . . 15.0 109.479 175.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.552 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 1.8 pp20? -90.32 149.26 22.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.389 0.614 . . . . 15.0 110.641 -178.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.462 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 61.5 ttt180 -139.22 120.17 14.46 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.34 -0.845 . . . . 15.0 110.135 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.475 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 41.2 mttp -89.94 108.8 19.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.898 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -94.18 150.34 20.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.442 -0.344 . . . . 15.0 110.204 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.53 -5.05 3.31 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.991 -0.55 . . . . 15.0 111.961 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.75 -5.84 36.93 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.43 0.633 . . . . 15.0 110.16 174.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.49 30.73 18.11 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.846 -0.693 . . . . 15.0 112.058 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.461 ' O ' HG22 ' A' ' 440' ' ' THR . 60.7 mttp -143.05 140.06 30.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.647 0.26 . . . . 15.0 110.305 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.475 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 9.9 t -110.23 129.78 55.66 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.768 -0.827 . . . . 15.0 108.768 168.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.581 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 41.1 p90 -116.54 130.89 57.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.22 0.533 . . . . 15.0 110.061 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.552 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 37.2 m-85 -89.94 106.14 18.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.331 -0.85 . . . . 15.0 109.313 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -101.92 114.33 28.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.194 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 21.6 t-20 -90.24 115.6 27.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.895 -0.593 . . . . 15.0 109.651 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -81.05 -0.69 40.9 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.562 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.976 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 69.0 ttt180 -95.38 -44.18 7.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.658 0.266 . . . . 15.0 111.045 -177.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 14.2 p -108.17 2.15 22.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.707 0.289 . . . . 15.0 111.332 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.6 mp 62.47 29.89 17.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.021 -0.536 . . . . 15.0 111.025 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.46 128.64 38.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.362 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.6 t -100.85 106.43 17.8 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 172.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 63.4 m -113.97 127.34 55.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.173 -0.922 . . . . 15.0 110.541 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.581 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.5 m95 -97.44 -2.39 42.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.458 -174.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -109.17 152.17 25.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.097 -0.502 . . . . 15.0 110.282 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -66.83 116.46 35.4 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.267 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.46 143.18 97.25 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.131 2.554 . . . . 15.0 112.01 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -74.56 -14.98 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.987 -174.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -70.21 -16.66 63.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.96 0.409 . . . . 15.0 110.331 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.55 -49.59 3.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.821 -0.437 . . . . 15.0 109.821 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.251 1.137 0 CA-C-N 115.389 -0.823 . . . . 15.0 111.14 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 110.268 -0.271 . . . . 15.0 110.268 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.0 p -78.0 115.41 17.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.976 0.417 . . . . 15.0 110.225 177.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.784 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -96.05 12.7 29.65 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.407 0.623 . . . . 15.0 109.754 -177.348 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -89.8 120.19 30.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.508 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.2 p -105.01 124.04 48.85 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.989 -0.374 . . . . 15.0 109.989 173.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -89.99 109.89 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -116.81 116.01 26.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.271 0.558 . . . . 15.0 110.454 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 445' ' ' THR . 85.8 mttt -91.78 116.34 28.81 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.263 -0.88 . . . . 15.0 109.507 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 444' ' ' LYS . 10.2 t -89.63 146.73 24.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.346 -0.388 . . . . 15.0 110.429 -175.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.82 -11.55 13.15 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.8 0.687 . . . . 15.0 112.033 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.66 -21.47 66.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.184 0.516 . . . . 15.0 110.181 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 103.86 20.39 10.74 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.839 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 440' ' ' THR . 29.6 mtmm -121.27 141.69 50.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.399 0.619 . . . . 15.0 111.177 -177.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.551 HG23 ' HG2' ' A' ' 439' ' ' LYS . 20.9 m -112.55 105.23 13.39 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.2 -0.909 . . . . 15.0 109.692 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.544 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 54.2 p90 -112.94 142.53 45.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.334 0.587 . . . . 15.0 110.542 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 455' ' ' SER . 79.5 m-85 -103.49 114.85 29.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.535 -175.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -107.31 119.6 39.85 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.576 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -89.85 115.08 26.91 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.219 -1.03 . . . . 15.0 108.219 173.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -77.64 -12.6 59.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.232 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.784 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 4.5 tpp180 -95.44 -21.56 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.443 -0.344 . . . . 15.0 111.435 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.5 p -121.87 -2.03 9.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.76 0.314 . . . . 15.0 111.166 176.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.2 mp 63.54 28.21 15.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.581 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -110.67 136.39 49.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.882 0.372 . . . . 15.0 110.502 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 13.8 t -117.72 120.1 36.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.844 0.354 . . . . 15.0 110.547 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.479 ' HB ' ' OE2' ' A' ' 458' ' ' GLU . 62.2 p -106.23 148.36 28.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.213 -0.449 . . . . 15.0 109.949 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.544 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 94.6 m95 -98.34 4.56 48.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.343 0.592 . . . . 15.0 110.601 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.479 ' OE2' ' HB ' ' A' ' 456' ' ' THR . 0.0 OUTLIER -118.85 153.22 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.703 174.677 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 25.0 tttp -75.2 118.2 68.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.447 -0.342 . . . . 15.0 111.035 -174.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 36.6 Cg_exo -60.16 140.16 90.9 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.082 2.521 . . . . 15.0 111.309 177.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.874 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 61.4 tt0 -66.19 -18.98 65.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 15.0 111.046 -177.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -68.93 -16.48 63.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.558 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.81 10.83 9.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 15.0 109.948 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.874 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 12.1 tmtt? . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.531 -0.759 . . . . 15.0 109.918 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 432' ' ' VAL . . . . . 0.43 ' O ' ' HB3' ' A' ' 433' ' ' SER . 20.6 m . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.224 -0.288 . . . . 15.0 110.224 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' SER . . . . . 0.43 ' HB3' ' O ' ' A' ' 432' ' ' VAL . 46.9 t 75.09 100.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 O-C-N 124.372 1.045 . . . . 15.0 109.41 -175.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.746 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 10.1 tp10 -112.82 6.27 17.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.896 -173.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.54 ' HB2' HD13 ' A' ' 463' ' ' LEU . 95.0 m95 -93.46 111.27 22.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.347 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.5 t -103.99 128.85 51.56 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.566 -0.531 . . . . 15.0 109.566 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.608 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.7 pt-20 -98.53 122.78 42.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.094 0.474 . . . . 15.0 110.464 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -125.69 148.25 49.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.741 -0.663 . . . . 15.0 110.433 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -89.86 119.27 30.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 15.0 110.813 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 79.0 m -89.99 142.22 27.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.182 -0.673 . . . . 15.0 109.182 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.91 10.06 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.65 0.611 . . . . 15.0 112.65 -173.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.534 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 33.7 t70 -74.76 -10.62 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.283 0.563 . . . . 15.0 110.455 176.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 97.02 26.08 10.67 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.868 -0.605 . . . . 15.0 112.381 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.534 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 64.1 mttm -126.7 140.75 52.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.715 0.293 . . . . 15.0 110.51 -177.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 m -101.34 109.22 21.03 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.66 -0.496 . . . . 15.0 109.66 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.408 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 13.5 p90 -104.78 144.97 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.98 0.419 . . . . 15.0 111.035 -175.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 72.8 m-85 -99.91 118.7 36.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.697 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -104.09 118.95 37.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.33 -0.85 . . . . 15.0 110.378 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.753 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 24.2 t-20 -99.84 125.77 45.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.474 -0.33 . . . . 15.0 110.508 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.598 ' H ' ' HG3' ' A' ' 434' ' ' GLU . 0.2 OUTLIER -96.12 -9.32 31.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.552 -0.295 . . . . 15.0 111.439 -175.638 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.753 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 18.5 ptt180 -82.21 -25.77 33.9 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.417 -0.513 . . . . 15.0 110.201 -177.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 17.8 p -127.16 -7.79 5.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.488 177.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 452' ' ' THR . 4.0 mm? 71.54 30.81 2.38 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.475 0.655 . . . . 15.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.52 130.65 54.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.041 -0.981 . . . . 15.0 109.196 -176.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.7 t -124.44 122.95 39.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.011 0.434 . . . . 15.0 110.233 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.404 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 9.5 t -122.4 149.96 43.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.815 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.408 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 84.4 m95 -88.35 -2.41 58.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.89 -0.595 . . . . 15.0 109.899 177.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.84 145.38 24.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 15.0 110.148 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -78.18 113.36 32.87 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.337 -0.392 . . . . 15.0 109.953 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.13 142.99 52.31 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.993 2.462 . . . . 15.0 112.216 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.557 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 62.9 tt0 -69.46 -10.27 57.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.163 0.506 . . . . 15.0 110.965 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.404 ' C ' HD12 ' A' ' 463' ' ' LEU . 48.2 mt-10 -72.96 -21.86 60.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.507 . . . . 15.0 110.342 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 435' ' ' TRP . 7.0 mp -132.66 28.42 4.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.575 -0.739 . . . . 15.0 109.839 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.557 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.42 -0.8 . . . . 15.0 110.528 -177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.819 -0.438 . . . . 15.0 109.819 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 31.5 t 55.87 87.89 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.147 -0.686 . . . . 15.0 109.147 -170.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.578 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 0.6 OUTLIER -82.67 15.7 2.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.53 -169.04 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 86.4 m95 -89.93 111.4 22.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.871 0.367 . . . . 15.0 110.202 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 31.5 m -93.01 125.21 37.49 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.52 -0.548 . . . . 15.0 109.52 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -90.08 110.32 21.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.311 0.577 . . . . 15.0 110.587 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -113.98 114.94 26.86 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.348 -0.842 . . . . 15.0 110.267 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -91.02 116.0 28.45 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.266 -0.642 . . . . 15.0 109.266 173.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 444' ' ' LYS . 15.0 t -89.76 149.29 22.78 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.354 -0.385 . . . . 15.0 110.178 -177.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.9 -3.45 3.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.928 -0.578 . . . . 15.0 112.228 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -75.46 -15.48 60.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.605 0.716 . . . . 15.0 109.932 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.2 31.92 6.99 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.893 -0.67 . . . . 15.0 111.923 -178.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 440' ' ' THR . 43.0 mttp -133.4 139.93 47.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.858 0.361 . . . . 15.0 110.573 -178.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 m -108.07 116.44 31.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.157 -0.474 . . . . 15.0 110.026 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 53.7 p90 -120.88 138.92 53.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.316 0.579 . . . . 15.0 110.96 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.474 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 78.1 m-85 -98.33 114.27 26.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.257 -0.883 . . . . 15.0 110.447 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -101.76 116.31 32.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.923 -0.58 . . . . 15.0 109.992 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.528 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 23.4 t-20 -89.91 117.46 28.74 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.773 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -10.5 59.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.994 0.426 . . . . 15.0 110.792 -176.262 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.578 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 32.9 ttm180 -86.43 -29.09 23.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.396 -0.365 . . . . 15.0 111.001 -176.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.2 p -120.56 -7.81 9.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.449 -0.342 . . . . 15.0 111.471 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 78.9 mt 68.73 26.16 6.2 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.535 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -95.3 136.74 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.574 -0.739 . . . . 15.0 111.118 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -110.38 121.53 45.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.35 -0.611 . . . . 15.0 109.35 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 40.8 p -122.47 145.11 48.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 15.0 111.639 -175.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 92.9 m95 -96.6 12.53 31.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.148 0.499 . . . . 15.0 109.814 174.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -120.89 142.43 49.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.474 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.474 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 40.1 ttmt -78.97 116.99 64.22 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.793 0.33 . . . . 15.0 110.934 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.2 Cg_exo -68.11 151.79 76.94 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.233 2.622 . . . . 15.0 111.627 177.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' GLN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 13.3 tt0 -64.09 -16.61 62.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 15.0 111.376 -176.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.91 -16.69 60.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.058 0.456 . . . . 15.0 110.792 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -119.68 13.59 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 15.0 109.967 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 17.5 tptm . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.479 -0.772 . . . . 15.0 110.502 -174.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 121.02 0.438 . . . . 15.0 110.696 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.8 m -91.83 101.54 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.415 . . . . 15.0 109.921 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 4.2 mt-10 -103.93 36.05 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.151 -175.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.474 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 94.0 m95 -90.05 117.25 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.942 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.4 m -115.96 138.71 50.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.234 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -90.06 118.14 29.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.585 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -123.06 122.94 39.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.29 0.567 . . . . 15.0 110.854 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.487 ' HG2' HG23 ' A' ' 445' ' ' THR . 51.2 mtpt -99.82 120.71 40.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.594 -0.73 . . . . 15.0 109.811 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 444' ' ' LYS . 14.9 t -98.3 150.18 21.82 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.931 -0.308 . . . . 15.0 110.511 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.6 -14.65 63.12 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.363 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.27 -21.74 64.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.196 0.522 . . . . 15.0 110.142 175.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 106.26 32.66 3.65 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.769 -0.65 . . . . 15.0 111.91 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.404 ' O ' HG22 ' A' ' 440' ' ' THR . 65.1 mttm -135.52 136.52 41.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.182 0.515 . . . . 15.0 111.007 -178.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 439' ' ' LYS . 24.4 m -108.87 108.94 19.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.695 177.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.467 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 53.2 p90 -121.83 149.99 42.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.133 0.492 . . . . 15.0 111.101 -175.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 456' ' ' THR . 75.4 m-85 -101.71 118.0 36.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.199 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -101.93 119.58 39.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.309 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.474 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 20.9 t-20 -90.04 113.86 25.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.857 -0.794 . . . . 15.0 108.857 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -77.93 -10.81 59.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.264 0.554 . . . . 15.0 111.037 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -85.94 -28.61 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.053 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 31.8 p -123.14 -2.64 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.835 0.309 . . . . 15.0 111.835 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.2 mp 66.86 23.64 9.93 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.872 0.469 . . . . 15.0 110.974 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.51 127.83 42.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.181 -0.463 . . . . 15.0 111.514 -175.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.9 m -104.38 122.43 45.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.231 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 447' ' ' TYR . 9.9 t -113.47 146.16 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.053 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.4 m95 -98.76 -1.47 40.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.296 0.57 . . . . 15.0 110.097 -175.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -122.32 156.39 33.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.308 -0.86 . . . . 15.0 109.804 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 69.0 mttm -67.9 118.79 61.52 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.398 -178.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.711 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 24.7 Cg_endo -62.01 153.52 68.27 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.171 2.581 . . . . 15.0 111.613 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -57.95 -31.1 66.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 15.0 112.29 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.517 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.4 pm0 -85.96 -4.3 59.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.918 0.34 . . . . 15.0 111.918 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.711 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 10.7 mp -116.99 4.89 12.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 15.0 110.563 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.615 -0.707 . . . . 15.0 110.068 -177.674 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.488 -0.56 . . . . 15.0 109.488 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.9 m 55.1 86.13 0.06 Allowed 'General case' 0 C--O 1.232 0.164 0 O-C-N 123.819 0.7 . . . . 15.0 109.651 -170.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.5 OUTLIER -82.98 17.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.444 -0.798 . . . . 15.0 111.23 -168.124 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.447 ' HE3' ' HB3' ' A' ' 447' ' ' TYR . 99.4 m95 -90.63 117.98 29.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.823 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.8 t -124.04 123.79 41.13 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.773 -0.454 . . . . 15.0 109.773 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 11.4 pt-20 -89.86 128.36 36.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.738 0.78 . . . . 15.0 110.127 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 59.1 ttt180 -110.48 117.07 32.57 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.921 -1.036 . . . . 15.0 109.529 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.525 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 42.8 mtmt -91.93 116.12 28.64 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.541 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.8 t -96.27 150.4 20.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.611 -0.722 . . . . 15.0 109.769 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.5 7.07 0.89 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.142 0.423 . . . . 15.0 112.142 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.38 -6.66 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 15.0 109.176 171.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.9 28.05 17.04 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.298 -0.864 . . . . 15.0 112.171 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -142.51 141.19 32.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 15.0 110.615 -175.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.525 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 8.9 t -111.41 137.45 49.17 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.937 -0.574 . . . . 15.0 109.758 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 37.1 p90 -127.19 139.36 52.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.962 0.411 . . . . 15.0 110.316 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 81.2 m-85 -91.58 118.99 31.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.959 -177.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' TYR . . . . . 0.489 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 74.3 t80 -107.31 119.06 38.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.966 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.0 t-20 -104.55 117.62 34.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.643 177.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -86.11 -4.28 59.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.766 0.284 . . . . 15.0 111.766 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -82.96 -44.52 15.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.453 . . . . 15.0 110.686 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 36.0 p -110.28 -1.42 17.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.347 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 453' ' ' LEU . 4.1 mm? 66.78 25.41 9.66 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.538 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.94 118.0 29.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 15.0 111.067 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.489 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 11.6 p -111.26 114.21 27.24 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 173.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -137.41 150.22 47.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.107 0.48 . . . . 15.0 110.989 -174.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.642 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 89.4 m95 -87.1 -1.54 57.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.989 -0.551 . . . . 15.0 109.625 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -83.81 134.67 34.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.428 -0.805 . . . . 15.0 110.525 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.768 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 2.6 ttmp? -78.1 115.06 47.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 175.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.45 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 35.8 Cg_endo -64.45 151.96 83.48 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.257 2.638 . . . . 15.0 112.655 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 38.4 tp60 -60.87 -21.25 63.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.727 -0.67 . . . . 15.0 110.836 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.447 ' C ' HD12 ' A' ' 463' ' ' LEU . 11.7 tp10 -80.71 -16.03 54.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 15.0 111.398 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.45 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 7.3 mp -131.67 17.95 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.481 -0.327 . . . . 15.0 110.929 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.768 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.5 ttpm? . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.065 -0.969 . . . . 15.0 110.767 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.768 -0.456 . . . . 15.0 109.768 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 47.1 m -149.37 123.46 9.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.031 0.443 . . . . 15.0 111.458 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 1.027 ' HG3' ' HB3' ' A' ' 451' ' ' ARG . 27.0 tt0 -116.32 -30.32 5.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.627 172.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -116.23 118.05 31.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.009 0.433 . . . . 15.0 111.055 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.8 p -133.78 128.32 34.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.878 -0.601 . . . . 15.0 110.231 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -90.05 131.47 35.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.084 0.469 . . . . 15.0 110.515 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -129.92 120.64 25.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.292 0.568 . . . . 15.0 110.645 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 445' ' ' THR . 54.4 tttp -89.83 108.29 19.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.347 -0.842 . . . . 15.0 108.744 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 444' ' ' LYS . 14.9 t -89.99 150.16 22.25 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.748 -173.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.47 -12.66 10.27 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.691 -0.686 . . . . 15.0 111.994 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -68.24 -9.78 49.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.289 0.566 . . . . 15.0 110.64 175.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.34 25.98 14.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.953 -0.641 . . . . 15.0 112.425 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 440' ' ' THR . 59.3 mttp -136.75 139.08 41.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.947 0.403 . . . . 15.0 110.715 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 11.8 m -106.44 104.12 13.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.078 -0.51 . . . . 15.0 109.743 177.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -116.17 150.1 38.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.918 0.389 . . . . 15.0 110.441 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -97.32 117.55 31.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.3 0.572 . . . . 15.0 110.659 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -90.33 125.81 35.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.401 -0.818 . . . . 15.0 109.987 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.701 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 19.3 t-20 -89.81 117.61 28.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.795 -0.639 . . . . 15.0 109.589 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -94.5 -17.97 21.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.54 0.57 . . . . 15.0 112.54 -169.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 1.027 ' HB3' ' HG3' ' A' ' 434' ' ' GLU . 38.5 ttm180 -92.81 -50.49 5.54 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.146 -0.622 . . . . 15.0 111.935 -176.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.84 1.69 43.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.164 0.431 . . . . 15.0 112.164 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.5 mt 62.05 89.89 0.08 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.654 0.74 . . . . 15.0 111.554 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -149.89 148.94 29.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.415 -0.811 . . . . 15.0 109.883 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.2 p -125.74 102.43 7.32 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.077 0.465 . . . . 15.0 109.828 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.9 t -106.12 142.28 36.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.977 -0.556 . . . . 15.0 110.099 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -107.28 -17.63 14.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.308 0.575 . . . . 15.0 110.181 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -92.47 153.46 19.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.4 -0.818 . . . . 15.0 110.053 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.506 ' HE2' ' HB3' ' A' ' 463' ' ' LEU . 18.8 tptm -67.71 117.41 47.6 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.244 -177.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.531 ' HB2' HD23 ' A' ' 463' ' ' LEU . 25.0 Cg_exo -63.7 145.26 90.98 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 123.002 2.468 . . . . 15.0 111.912 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -41.55 67.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.498 -0.774 . . . . 15.0 110.667 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.24 -21.53 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 15.0 111.998 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 460' ' ' PRO . 3.6 mm? -94.34 -52.89 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.997 -0.372 . . . . 15.0 109.997 178.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? . . . . . 0 C--O 1.249 1.07 0 CA-C-N 115.348 -0.842 . . . . 15.0 110.96 179.636 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.003 -0.369 . . . . 15.0 110.003 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.9 m 50.87 80.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.701 0.626 . . . . 15.0 109.735 -171.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.5 OUTLIER -78.65 34.49 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.397 -0.819 . . . . 15.0 112.312 -167.236 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -92.08 109.84 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.797 0.332 . . . . 15.0 111.163 -177.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.9 t -94.88 140.03 30.5 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.519 ' H ' ' CD ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -94.31 118.05 31.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.176 0.512 . . . . 15.0 110.514 -178.706 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 438' ' ' ARG . . . . . 0.424 ' HD2' ' HA ' ' A' ' 438' ' ' ARG . 9.8 tpt180 -119.03 129.58 55.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.014 0.435 . . . . 15.0 110.67 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -89.65 122.08 32.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.978 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 442' ' ' ASP . 23.4 m -107.15 132.35 53.12 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.507 -0.769 . . . . 15.0 109.83 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.44 -4.67 6.07 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.931 -175.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 440' ' ' THR . 18.7 t70 -69.77 -17.64 63.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.426 0.632 . . . . 15.0 110.314 173.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 106.31 16.95 13.32 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.846 -0.693 . . . . 15.0 112.045 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.499 ' HD2' ' CE3' ' A' ' 457' ' ' TRP . 20.9 mttp -124.83 150.11 46.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.783 0.325 . . . . 15.0 110.269 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.3 m -114.06 97.71 6.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.769 -0.826 . . . . 15.0 108.769 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.646 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 19.6 p90 -89.97 134.14 34.4 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.455 0.645 . . . . 15.0 110.218 -173.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.443 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 98.1 m-85 -99.85 116.2 31.36 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.265 -0.88 . . . . 15.0 109.916 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -104.06 124.95 49.97 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.033 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.1 t-20 -89.94 114.84 26.73 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.434 -0.58 . . . . 15.0 109.434 177.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -78.16 -0.3 27.79 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.545 0.572 . . . . 15.0 112.545 -174.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -98.25 -47.38 5.47 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.785 -0.366 . . . . 15.0 110.994 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 44.7 p -103.98 0.89 30.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.588 -0.278 . . . . 15.0 111.411 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.0 mp 62.12 36.07 15.38 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.021 -0.536 . . . . 15.0 110.187 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -89.92 140.31 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.232 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -127.78 122.07 31.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.488 -0.324 . . . . 15.0 110.226 -177.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.0 t -136.33 138.43 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.769 0.318 . . . . 15.0 110.897 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.646 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 89.9 m95 -89.78 -5.41 56.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.24 0.543 . . . . 15.0 109.816 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.73 137.26 51.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.118 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.443 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 37.4 ttmt -58.46 122.52 60.73 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.882 -0.599 . . . . 15.0 112.099 -177.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.3 Cg_exo -68.78 160.5 49.35 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.448 2.765 . . . . 15.0 112.207 178.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -56.85 -27.72 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.997 -1.002 . . . . 15.0 111.163 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -70.11 -13.94 62.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.62 . . . . 15.0 111.396 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.1 mp -124.83 12.05 8.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.014 0.435 . . . . 15.0 110.028 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 11.3 ttpp . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.788 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.67 0.272 . . . . 15.0 110.271 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.4 p -166.93 103.69 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.288 -0.414 . . . . 15.0 110.44 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.603 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 5.1 tp10 -96.27 16.57 17.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.49 0.662 . . . . 15.0 109.627 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 93.2 m95 -92.01 126.65 37.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.181 -0.918 . . . . 15.0 110.412 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.7 p -103.35 123.75 47.4 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.9 -0.408 . . . . 15.0 109.9 172.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -89.81 116.87 28.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.864 0.364 . . . . 15.0 110.741 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -119.18 108.06 14.21 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.133 0.492 . . . . 15.0 110.33 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' LYS . . . . . 0.407 ' NZ ' ' HB2' ' A' ' 439' ' ' LYS . 5.0 ttmp? -96.92 112.79 24.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.641 -0.709 . . . . 15.0 109.593 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.7 t -101.47 149.92 23.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.825 0.345 . . . . 15.0 111.085 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.88 -5.98 3.36 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.581 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.0 -14.91 61.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.386 0.612 . . . . 15.0 109.889 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 97.44 19.28 25.88 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.686 -0.688 . . . . 15.0 111.676 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -129.85 143.74 50.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.815 0.34 . . . . 15.0 110.583 -173.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.7 m -121.27 102.46 8.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.438 -0.579 . . . . 15.0 109.438 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.588 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 21.0 p90 -110.38 132.61 54.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.551 0.691 . . . . 15.0 110.842 -176.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' TYR . . . . . 0.418 ' CE2' HD22 ' A' ' 463' ' ' LEU . 85.7 m-85 -91.69 120.89 32.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.634 -1.167 . . . . 15.0 110.146 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -98.95 118.31 35.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.009 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.729 ' OD1' ' HG3' ' A' ' 451' ' ' ARG . 26.4 t-20 -89.96 122.33 32.89 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.394 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.519 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 20.1 m120 -92.21 -13.38 30.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.76 0.652 . . . . 15.0 112.76 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.729 ' HG3' ' OD1' ' A' ' 449' ' ' ASN . 0.2 OUTLIER -77.82 -13.28 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.233 -0.587 . . . . 15.0 110.306 -175.877 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 452' ' ' THR . . . . . 0.543 HG23 ' HD3' ' A' ' 451' ' ' ARG . 10.7 p -142.26 -88.72 0.14 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.128 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.6 tt 172.48 86.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.635 -1.246 . . . . 15.0 107.635 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' GLU . . . . . 0.627 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 13.1 tp10 -134.75 126.25 28.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.679 -173.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.0 p -108.37 102.05 11.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.09 0.472 . . . . 15.0 109.91 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 458' ' ' GLU . 21.7 m -107.68 125.67 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.758 -174.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.588 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 98.5 m95 -93.83 -4.22 50.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 15.0 111.95 -173.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 456' ' ' THR . 0.9 OUTLIER -123.36 148.18 46.3 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.039 -1.097 . . . . 15.0 108.039 175.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 44.5 mtpt -58.67 119.22 34.98 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.945 0.402 . . . . 15.0 111.352 -174.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.4 Cg_endo -58.33 154.53 40.38 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.267 2.644 . . . . 15.0 111.694 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -61.59 -9.35 5.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.775 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLU . . . . . 0.446 ' C ' HD12 ' A' ' 463' ' ' LEU . 30.9 mt-10 -88.78 -15.61 34.2 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.671 0.249 . . . . 15.0 111.671 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 462' ' ' GLU . 7.7 mp -130.09 -2.13 4.58 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.693 -0.231 . . . . 15.0 111.43 -176.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 49.9 tttp . . . . . 0 C--O 1.254 1.332 0 CA-C-O 118.431 -0.795 . . . . 15.0 111.885 -171.394 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.595 0.236 . . . . 15.0 110.519 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.9 t 65.52 -177.95 0.18 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.422 176.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLU . . . . . 0.641 ' HG2' ' CB ' ' A' ' 451' ' ' ARG . 5.6 tp10 67.98 20.41 9.15 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.902 0.881 . . . . 15.0 111.408 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.7 m95 -89.81 113.06 24.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.107 0.479 . . . . 15.0 110.994 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.3 m -109.14 115.96 31.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.201 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -89.9 131.81 35.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.286 0.565 . . . . 15.0 110.774 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -120.57 116.41 25.32 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.089 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -90.01 115.89 27.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.759 -0.655 . . . . 15.0 109.93 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 440' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.5 t -90.02 146.83 24.06 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.96 -8.44 22.64 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.555 -175.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.27 -23.23 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.406 173.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 104.67 30.4 4.93 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.743 -0.741 . . . . 15.0 112.027 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' LYS . . . . . 0.401 ' O ' HG22 ' A' ' 440' ' ' THR . 30.8 mtmm -132.05 138.44 48.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.859 0.361 . . . . 15.0 110.516 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.5 m -114.3 100.22 8.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.081 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' TYR . . . . . 0.523 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 55.9 p90 -99.37 139.92 34.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.266 0.555 . . . . 15.0 110.427 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -97.54 118.57 34.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.567 -0.742 . . . . 15.0 110.189 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -104.73 119.91 40.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.195 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' ASN . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 14.5 t-20 -89.97 116.59 28.13 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' ASN . . . . . 0.429 ' H ' ' HG3' ' A' ' 434' ' ' GLU . 28.5 t-20 -78.81 -14.85 59.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.437 -0.347 . . . . 15.0 111.783 -172.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ARG . . . . . 0.641 ' CB ' ' HG2' ' A' ' 434' ' ' GLU . 31.3 ttp180 -92.96 -29.45 15.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 15.0 111.399 -176.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 39.6 p -110.36 -4.83 15.42 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.781 -0.368 . . . . 15.0 111.387 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 11.2 mp 63.59 24.1 13.85 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.976 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -92.45 119.76 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.837 -0.62 . . . . 15.0 111.235 -174.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -105.96 117.32 33.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.707 -0.479 . . . . 15.0 109.707 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.5 t -121.4 148.38 44.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.154 -0.476 . . . . 15.0 110.787 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 457' ' ' TRP . . . . . 0.523 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.4 m95 -93.9 -1.24 55.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 15.0 109.62 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -101.82 151.46 22.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.196 -0.911 . . . . 15.0 110.027 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 68.5 mttm -80.19 118.44 72.43 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.864 -0.421 . . . . 15.0 109.864 176.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.512 ' HD2' HD23 ' A' ' 463' ' ' LEU . 32.4 Cg_exo -59.28 156.33 35.84 Favored 'Trans proline' 0 CA--C 1.52 -0.219 0 C-N-CA 123.492 2.795 . . . . 15.0 112.095 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -60.78 -17.67 50.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.593 -0.731 . . . . 15.0 111.36 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -73.01 -24.78 60.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.532 -0.304 . . . . 15.0 111.048 176.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' LEU . . . . . 0.512 HD23 ' HD2' ' A' ' 460' ' ' PRO . 2.5 mm? -109.84 -26.15 9.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.564 0.221 . . . . 15.0 111.186 -177.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' LYS . . . . . 0.431 ' C ' ' HE2' ' A' ' 464' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.563 -0.732 . . . . 15.0 109.982 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.651 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.776 0.322 . . . . 15.0 111.027 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -89.9 104.5 17.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.136 0.493 . . . . 15.0 110.148 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.7 p -102.64 123.54 46.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.435 -0.802 . . . . 15.0 109.697 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 437' ' ' GLU . 9.3 pt-20 -90.25 115.7 27.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.424 0.631 . . . . 15.0 110.712 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.423 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 79.2 ttt180 -101.82 112.88 25.65 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.416 -0.811 . . . . 15.0 109.676 177.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.573 ' HG2' HG23 ' A' ' 445' ' ' THR . 75.3 mttt -92.29 104.8 17.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.388 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 444' ' ' LYS . 11.0 t -90.07 149.21 22.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.753 -174.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.98 -12.19 47.2 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.803 -0.635 . . . . 15.0 111.228 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.53 -12.57 45.92 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.742 -0.663 . . . . 15.0 110.215 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.9 26.66 10.22 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.872 -0.604 . . . . 15.0 112.134 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 440' ' ' THR . 61.8 mttp -136.56 140.34 42.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.953 0.406 . . . . 15.0 110.882 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.573 HG23 ' HG2' ' A' ' 439' ' ' LYS . 41.1 m -115.24 100.26 8.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.964 -0.562 . . . . 15.0 109.955 176.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.469 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 25.4 p90 -101.27 139.35 37.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.164 0.507 . . . . 15.0 109.862 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 459' ' ' LYS . 83.5 m-85 -94.27 116.04 28.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.784 -0.644 . . . . 15.0 110.248 -176.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -108.09 121.05 44.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.209 -0.905 . . . . 15.0 110.18 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.0 t-20 -90.2 114.22 26.16 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.382 -0.599 . . . . 15.0 109.382 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.6 -1.57 38.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 15.0 111.164 -173.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.651 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 16.8 tpp180 -96.13 -51.42 4.43 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.069 -0.252 . . . . 15.0 110.683 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.3 p -95.6 -3.43 46.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.562 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 66.12 30.91 9.16 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.281 0.562 . . . . 15.0 110.14 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -89.68 129.27 36.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.61 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.4 p -123.83 113.14 18.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.872 0.368 . . . . 15.0 110.284 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -131.02 149.98 52.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.85 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 88.3 m95 -94.83 3.17 55.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.398 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -124.35 126.9 46.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.8 -0.636 . . . . 15.0 109.533 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.871 ' H ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -70.71 127.78 91.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 121.156 0.503 . . . . 15.0 111.763 -175.051 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -51.08 165.18 0.53 Allowed 'Trans proline' 0 N--CA 1.475 0.436 0 C-N-CA 124.233 3.288 . . . . 15.0 113.172 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.07 -23.5 7.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.921 -1.036 . . . . 15.0 111.666 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.33 -22.86 67.14 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.344 0.592 . . . . 15.0 110.641 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 459' ' ' LYS . 62.0 mt -119.52 -73.3 0.65 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.496 -0.775 . . . . 15.0 109.675 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.539 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.243 0.727 0 O-C-N 123.94 0.775 . . . . 15.0 111.248 175.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 2.0 mt-10 . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 109.3 -0.629 . . . . 15.0 109.3 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -90.08 119.66 30.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.184 -0.916 . . . . 15.0 110.464 -176.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 15.4 t -95.91 135.57 37.49 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.152 -0.685 . . . . 15.0 109.152 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -89.78 102.43 15.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.859 0.837 . . . . 15.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 438' ' ' ARG . 20.3 tpt180 -97.22 113.75 25.39 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.198 -0.91 . . . . 15.0 109.775 177.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -89.84 106.23 18.33 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.11 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 m -91.77 136.14 33.37 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.856 -1.065 . . . . 15.0 110.683 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.29 2.6 1.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.106 0.41 . . . . 15.0 112.106 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.99 -1.16 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.481 0.658 . . . . 15.0 109.595 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 17.87 52.25 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.549 -0.75 . . . . 15.0 111.696 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -136.01 137.84 41.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.91 0.386 . . . . 15.0 110.417 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 29.0 m -104.6 99.72 9.39 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.291 -0.633 . . . . 15.0 109.291 174.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.456 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.9 p90 -90.07 131.36 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 -175.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -93.88 122.84 36.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.668 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.595 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 88.8 t80 -116.29 123.69 48.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.336 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 22.3 t-20 -89.76 111.16 22.08 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.441 -0.948 . . . . 15.0 108.441 176.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.12 -13.93 61.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.151 -0.477 . . . . 15.0 111.444 -173.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 451' ' ' ARG . 8.8 tpt180 -84.55 -49.54 8.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.405 -0.362 . . . . 15.0 111.205 -177.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.3 p -102.01 0.23 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.702 0.26 . . . . 15.0 111.702 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.5 mp 65.12 28.22 12.28 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.147 -0.478 . . . . 15.0 111.18 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -89.73 119.77 30.42 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.91 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.595 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 3.5 p -116.49 124.04 48.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.738 0.304 . . . . 15.0 110.734 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.4 t -135.34 147.26 49.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.493 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.456 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.2 m95 -95.86 -12.23 25.54 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.191 0.519 . . . . 15.0 110.024 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -97.34 146.49 25.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.745 -0.835 . . . . 15.0 108.745 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -66.08 122.52 81.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 123.226 0.329 . . . . 15.0 111.133 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -58.3 153.55 46.23 Favored 'Trans proline' 0 CA--C 1.514 -0.502 0 C-N-CA 122.71 2.273 . . . . 15.0 110.31 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -56.65 -27.22 58.1 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 123.356 0.41 . . . . 15.0 111.929 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.42 -11.09 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 15.0 111.485 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 75.5 mt -134.77 12.88 3.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.009 -0.541 . . . . 15.0 111.407 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 49.3 tptt . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.949 -0.548 . . . . 15.0 111.043 -174.006 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.77 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 7.8 tp10 . . . . . 0 C--O 1.235 0.293 0 N-CA-C 109.069 -0.715 . . . . 15.0 109.069 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -89.74 112.55 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.731 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.2 p -98.16 146.73 25.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.579 -0.282 . . . . 15.0 111.084 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -89.62 120.19 30.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.149 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.436 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 69.6 ttt180 -126.5 105.2 8.58 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.717 -0.393 . . . . 15.0 110.939 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.789 ' HG2' HG23 ' A' ' 445' ' ' THR . 9.9 mtmp? -97.41 107.08 19.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.1 t -91.5 150.23 21.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.705 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.18 -4.66 1.2 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.609 0.596 . . . . 15.0 112.609 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -79.18 2.41 21.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.569 0.699 . . . . 15.0 109.716 175.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.27 30.25 38.03 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.645 -0.707 . . . . 15.0 112.242 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -134.26 136.3 43.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.234 0.54 . . . . 15.0 111.169 -175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.789 HG23 ' HG2' ' A' ' 439' ' ' LYS . 13.1 m -112.83 102.85 10.84 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.031 -0.986 . . . . 15.0 109.411 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 12.8 p90 -119.92 150.14 40.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.977 0.418 . . . . 15.0 110.673 -175.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -101.38 125.77 48.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.608 -0.724 . . . . 15.0 111.176 -175.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -115.46 122.03 44.52 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.389 -0.823 . . . . 15.0 110.002 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -90.01 117.32 28.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.202 -0.666 . . . . 15.0 109.202 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -81.02 -0.11 38.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.559 -173.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.77 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 12.5 ttm180 -108.86 -28.03 9.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.819 0.342 . . . . 15.0 111.192 -177.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 70.9 p -112.65 -2.6 14.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.827 0.346 . . . . 15.0 110.898 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.5 mp 60.86 34.35 19.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.227 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -96.92 117.32 30.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.375 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.0 p -102.71 109.76 21.46 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.9 t -123.99 149.96 45.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.787 0.327 . . . . 15.0 110.647 -176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -96.39 -1.09 48.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.075 0.464 . . . . 15.0 110.87 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -106.48 139.01 41.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 15.0 110.037 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.675 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 21.8 ttmm -68.98 120.23 74.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 110.357 -0.238 . . . . 15.0 110.357 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.0 Cg_exo -67.38 154.25 74.46 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.947 2.431 . . . . 15.0 112.105 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -63.48 -14.88 55.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.596 -0.729 . . . . 15.0 112.214 -176.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -88.11 -9.36 53.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.281 -0.262 . . . . 15.0 111.527 -177.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 34.4 mt -126.44 11.82 7.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 15.0 110.93 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.675 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.6 ttpm? . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.597 -0.716 . . . . 15.0 110.192 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.651 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 4.0 tp10 . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 120.881 0.372 . . . . 15.0 110.438 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -90.17 123.19 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.062 0.458 . . . . 15.0 111.312 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.3 m -121.66 125.63 47.12 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.161 -0.681 . . . . 15.0 109.161 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.494 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.6 pt-20 -89.79 125.74 35.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.732 0.777 . . . . 15.0 110.577 -177.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.437 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 48.7 ttt180 -113.85 113.58 25.09 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.003 -0.999 . . . . 15.0 109.979 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.459 ' HG2' ' CB ' ' A' ' 445' ' ' THR . 46.4 mttm -93.2 110.44 21.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.905 -0.589 . . . . 15.0 109.565 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.8 t -90.08 150.3 22.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.885 -0.598 . . . . 15.0 110.607 -176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.68 -9.56 9.53 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.065 -175.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -65.36 -22.86 66.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.405 0.622 . . . . 15.0 110.323 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.31 35.83 3.77 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.81 -0.71 . . . . 15.0 112.032 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -142.32 141.36 32.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.015 0.436 . . . . 15.0 110.575 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.459 ' CB ' ' HG2' ' A' ' 439' ' ' LYS . 3.6 t -116.66 112.14 20.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.0 178.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.437 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 36.0 p90 -112.89 148.1 35.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.448 . . . . 15.0 110.558 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.558 ' CE2' ' HG ' ' A' ' 463' ' ' LEU . 62.4 m-85 -95.5 118.93 33.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -107.58 115.98 31.13 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.435 -0.802 . . . . 15.0 110.406 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 17.6 t-20 -90.04 111.34 22.42 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.867 -0.79 . . . . 15.0 108.867 175.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -74.24 -13.83 60.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.838 0.351 . . . . 15.0 111.517 -174.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.651 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 44.9 ttt180 -87.83 -29.62 20.8 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.158 -0.217 . . . . 15.0 111.365 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.6 p -114.75 -6.45 12.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.651 0.241 . . . . 15.0 111.651 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 87.0 mt 67.86 23.39 8.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.178 0.514 . . . . 15.0 110.179 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -90.02 132.8 35.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.933 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 30.2 p -120.02 113.44 20.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.786 0.327 . . . . 15.0 110.437 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.51 ' HB ' ' OE2' ' A' ' 458' ' ' GLU . 73.2 p -110.85 147.11 35.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.543 -0.299 . . . . 15.0 110.491 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -93.02 -3.79 53.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.448 0.642 . . . . 15.0 109.914 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.51 ' OE2' ' HB ' ' A' ' 456' ' ' THR . 0.8 OUTLIER -124.83 145.31 49.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.006 -0.997 . . . . 15.0 109.547 177.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -71.4 119.29 72.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.895 0.378 . . . . 15.0 110.969 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.844 ' HD2' HD23 ' A' ' 463' ' ' LEU . 52.5 Cg_exo -57.52 161.77 11.42 Favored 'Trans proline' 0 CA--C 1.517 -0.329 0 C-N-CA 122.749 2.3 . . . . 15.0 111.243 170.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -51.04 -24.32 3.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.207 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.62 -17.28 61.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.682 0.277 . . . . 15.0 111.432 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.844 HD23 ' HD2' ' A' ' 460' ' ' PRO . 1.0 OUTLIER -121.88 8.82 9.95 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.4 tmtp? . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.42 -0.8 . . . . 15.0 109.797 -174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 6.3 tp10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.408 0.623 . . . . 15.0 109.917 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.405 ' HE3' ' HB3' ' A' ' 447' ' ' TYR . 81.5 m95 -97.4 120.75 38.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.307 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 26.6 m -90.09 109.7 20.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.986 -0.552 . . . . 15.0 109.676 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -89.98 123.38 33.84 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.608 -0.724 . . . . 15.0 109.769 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.472 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 66.7 ttt180 -147.23 134.26 20.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.197 -0.456 . . . . 15.0 110.82 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 3.3 mppt? -89.66 127.39 35.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.052 0.453 . . . . 15.0 110.367 175.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.14 148.75 22.79 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.277 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.06 -18.19 22.93 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.296 0.48 . . . . 15.0 112.296 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.27 -6.32 49.22 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.18 0.514 . . . . 15.0 111.043 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.01 41.74 6.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.825 -0.702 . . . . 15.0 111.658 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm -126.28 143.52 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.409 -0.219 . . . . 15.0 110.409 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.1 m -111.32 101.36 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.466 -0.568 . . . . 15.0 109.466 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.472 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 18.8 p90 -109.59 137.81 46.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.124 0.488 . . . . 15.0 110.161 -176.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 455' ' ' SER . 79.5 m-85 -103.03 114.37 28.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.752 -0.658 . . . . 15.0 110.502 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -97.22 107.2 19.67 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.416 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 25.1 t-20 -89.96 129.16 36.34 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.831 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -99.96 -2.05 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.652 0.612 . . . . 15.0 112.652 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.488 ' HB3' ' HG2' ' A' ' 434' ' ' GLU . 4.3 ptm180 -96.82 -24.42 15.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 120.178 -0.609 . . . . 15.0 111.459 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 36.3 p -126.96 -3.98 6.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.524 0.202 . . . . 15.0 110.966 176.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 58.96 77.8 0.29 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.521 0.677 . . . . 15.0 111.314 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -150.09 134.88 17.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.89 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 27.9 t -110.38 111.11 22.17 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.492 -0.559 . . . . 15.0 109.492 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 48.5 p -104.82 149.97 25.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.128 -176.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -105.36 -5.4 20.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.068 -0.715 . . . . 15.0 109.068 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -97.02 149.58 21.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.047 -0.979 . . . . 15.0 109.709 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.447 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 3.6 tmtp? -76.81 111.07 13.86 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.653 -0.499 . . . . 15.0 109.653 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.0 Cg_exo -68.88 141.0 47.57 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.121 2.547 . . . . 15.0 111.83 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.851 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 10.1 tt0 -66.63 -17.9 65.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.107 0.479 . . . . 15.0 111.114 -178.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -68.37 -14.98 63.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.258 0.551 . . . . 15.0 110.438 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.447 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 8.7 mp -128.33 11.82 6.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.228 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.851 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 38.1 ttpt . . . . . 0 C--O 1.248 1.014 0 O-C-N 123.884 0.74 . . . . 15.0 112.619 -170.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.174 0 N-CA-C 111.953 0.353 . . . . 15.0 111.953 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.521 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 97.5 m95 -89.74 116.96 28.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.675 0.274 . . . . 15.0 110.3 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.7 t -121.94 136.38 54.92 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.439 -0.578 . . . . 15.0 109.439 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -90.0 107.94 19.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.997 0.904 . . . . 15.0 110.247 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.605 ' HD2' ' CE2' ' A' ' 446' ' ' TYR . 0.7 OUTLIER -90.06 125.71 35.51 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.723 -1.126 . . . . 15.0 109.007 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -89.79 118.15 29.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.367 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.2 m -89.91 131.51 35.79 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.373 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.32 -5.85 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.317 0.488 . . . . 15.0 112.317 -173.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -80.55 -9.63 59.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.024 0.44 . . . . 15.0 110.683 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.16 36.44 3.63 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.829 -0.701 . . . . 15.0 112.508 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 444' ' ' LYS . 6.6 ptpt -150.26 150.08 31.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.132 -0.321 . . . . 15.0 110.132 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.9 t -113.64 139.55 48.94 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.137 -0.32 . . . . 15.0 110.137 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.605 ' CE2' ' HD2' ' A' ' 438' ' ' ARG . 23.0 p90 -129.72 138.45 51.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.826 -0.435 . . . . 15.0 109.826 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 455' ' ' SER . 29.6 m-85 -90.13 124.14 34.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.071 0.462 . . . . 15.0 111.284 -176.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -112.98 125.91 54.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.452 -0.794 . . . . 15.0 109.845 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.6 t-20 -107.55 119.17 38.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.147 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -72.31 -15.36 61.89 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.403 0.439 . . . . 15.0 111.836 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.505 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 51.7 ttp180 -83.82 -42.01 16.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.637 0.256 . . . . 15.0 111.342 -177.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.587 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.1 t -105.85 -4.28 20.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.556 -0.293 . . . . 15.0 110.885 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.9 mp 62.32 32.72 16.89 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.824 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.587 ' HB2' HG23 ' A' ' 452' ' ' THR . 4.8 mm-40 -105.78 134.97 48.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.63 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 22.8 p -119.73 112.07 18.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.247 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.2 t -128.18 150.08 50.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.937 0.399 . . . . 15.0 111.012 -173.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 89.0 m95 -93.19 -3.64 53.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.987 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -114.88 140.42 48.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.425 -0.583 . . . . 15.0 109.425 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.408 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 89.4 mttt -69.55 119.14 68.91 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.999 0.428 . . . . 15.0 111.244 -176.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.481 ' HD2' HD23 ' A' ' 463' ' ' LEU . 37.1 Cg_exo -62.82 160.51 32.83 Favored 'Trans proline' 0 CA--C 1.517 -0.353 0 C-N-CA 123.554 2.836 . . . . 15.0 112.086 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -62.93 -10.49 13.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.298 -0.864 . . . . 15.0 111.575 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.67 -11.51 55.75 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.117 -0.364 . . . . 15.0 110.847 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.481 HD23 ' HD2' ' A' ' 460' ' ' PRO . 3.0 mm? -119.32 -13.06 9.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.1 0.476 . . . . 15.0 110.243 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.253 -0.879 . . . . 15.0 110.239 -176.807 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.549 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.234 0.251 0 N-CA-C 108.043 -1.095 . . . . 15.0 108.043 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -95.29 127.57 41.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.338 -1.301 . . . . 15.0 110.426 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 12.7 t -109.15 135.37 50.39 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.901 -0.778 . . . . 15.0 108.901 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -91.83 112.61 24.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.652 0.739 . . . . 15.0 110.582 -176.212 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -108.83 119.38 39.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.378 -0.828 . . . . 15.0 110.176 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 445' ' ' THR . 20.8 ptmt -97.31 120.05 36.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.451 0.643 . . . . 15.0 110.389 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 15.1 t -90.12 150.52 22.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.221 -0.9 . . . . 15.0 109.628 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.97 -11.85 3.88 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.639 0.607 . . . . 15.0 112.639 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.62 -12.47 61.67 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.185 0.517 . . . . 15.0 110.629 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 95.0 26.94 11.6 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.007 -0.616 . . . . 15.0 111.812 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -126.55 130.76 51.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.832 0.348 . . . . 15.0 110.409 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 77.9 m -103.64 109.83 21.67 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.509 -0.552 . . . . 15.0 109.509 177.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.564 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 45.2 p90 -108.89 138.63 44.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.215 -0.448 . . . . 15.0 109.854 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.412 ' CD1' ' HD3' ' A' ' 460' ' ' PRO . 88.9 m-85 -93.0 122.91 35.85 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.557 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -109.68 117.83 34.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.358 -0.837 . . . . 15.0 110.803 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -96.37 118.35 32.73 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.931 -0.766 . . . . 15.0 108.931 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -93.47 -7.6 43.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.152 0.501 . . . . 15.0 111.007 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.549 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 6.6 tpp180 -84.93 -35.15 22.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.954 0.407 . . . . 15.0 110.841 -178.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -113.65 -9.74 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.148 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 48.8 tp 64.77 82.83 0.18 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.486 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -146.19 135.17 22.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.262 -0.881 . . . . 15.0 110.053 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.6 p -130.81 113.11 13.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.935 -0.394 . . . . 15.0 109.935 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.5 t -128.79 149.88 50.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.473 -0.33 . . . . 15.0 110.686 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.3 m95 -90.28 -4.25 57.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.159 0.504 . . . . 15.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -98.84 139.13 34.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.078 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 41.0 ttmt -65.65 125.94 90.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.249 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 38.5 Cg_exo -61.18 143.52 98.6 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.897 2.398 . . . . 15.0 112.21 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -54.36 -29.13 47.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.44 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.53 -9.54 58.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.003 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.62 8.06 5.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.182 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.498 -0.763 . . . . 15.0 110.522 -177.497 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.556 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.9 OUTLIER . . . . . 0 N--CA 1.446 -0.639 0 N-CA-C 108.971 -0.751 . . . . 15.0 108.971 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -133.87 109.15 8.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.09 0.471 . . . . 15.0 111.138 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 21.5 m -103.02 131.2 50.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.0 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -89.81 128.22 36.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.208 0.528 . . . . 15.0 110.112 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -120.28 113.66 20.72 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.813 -0.631 . . . . 15.0 109.914 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -103.98 107.93 19.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.969 -0.559 . . . . 15.0 109.608 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.9 t -89.95 150.0 22.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.251 -0.431 . . . . 15.0 110.562 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.08 -5.22 12.31 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.39 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.15 -9.92 59.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.375 0.607 . . . . 15.0 110.001 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.78 31.78 8.0 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.852 -0.613 . . . . 15.0 112.38 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -133.6 138.09 45.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.05 0.452 . . . . 15.0 110.735 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.3 m -113.69 108.11 16.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.607 -0.724 . . . . 15.0 109.745 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.599 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 49.3 p90 -118.52 140.99 49.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.103 0.478 . . . . 15.0 110.734 -177.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.427 ' OH ' ' HD3' ' A' ' 459' ' ' LYS . 23.7 m-85 -97.98 128.11 44.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.427 0.632 . . . . 15.0 110.84 -176.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -116.59 118.79 33.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.812 -1.086 . . . . 15.0 110.789 -174.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -93.27 117.71 30.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.311 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -97.6 -5.71 34.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.219 0.533 . . . . 15.0 110.621 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.556 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 22.5 tpt180 -78.53 -39.57 37.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.692 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.2 p -122.24 -4.21 8.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 15.0 111.555 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 65.3 80.4 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.575 0.702 . . . . 15.0 110.5 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -145.2 120.07 9.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.078 -0.964 . . . . 15.0 109.792 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.5 t -114.57 126.53 55.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.906 0.384 . . . . 15.0 110.209 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.0 t -128.24 144.36 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.55 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.599 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 90.6 m95 -90.64 -4.81 56.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.202 0.525 . . . . 15.0 110.187 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -109.23 118.51 36.91 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.706 -0.849 . . . . 15.0 108.706 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.783 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 32.8 ttpt -60.57 123.05 72.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 15.0 111.624 -175.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -52.46 141.77 50.42 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.975 2.45 . . . . 15.0 112.28 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 56.0 tp60 -58.83 -22.55 59.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 15.0 111.745 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -70.47 -19.15 62.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.179 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.469 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 6.1 mp -125.32 4.33 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.546 -0.297 . . . . 15.0 110.629 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.783 ' HA ' ' HE3' ' A' ' 459' ' ' LYS . 31.8 ttmt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.59 -0.719 . . . . 15.0 111.486 -172.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.642 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 5.0 tt0 . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 108.205 -1.035 . . . . 15.0 108.205 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -90.17 110.4 21.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.537 -0.756 . . . . 15.0 111.783 -168.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 44.1 m -92.91 113.4 25.67 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.005 -0.998 . . . . 15.0 108.907 171.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -91.64 120.83 32.75 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.056 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.458 HH11 ' HD2' ' A' ' 438' ' ' ARG . 17.1 ttp180 -133.03 144.08 49.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.134 0.493 . . . . 15.0 110.281 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -89.95 125.85 35.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.798 -0.637 . . . . 15.0 110.283 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.486 HG22 ' H ' ' A' ' 442' ' ' ASP . 94.4 m -90.05 139.42 30.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.412 -0.813 . . . . 15.0 109.191 176.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.65 -14.89 23.34 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.675 0.62 . . . . 15.0 112.675 -172.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.553 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 30.8 t70 -73.24 -16.8 61.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.104 0.478 . . . . 15.0 110.61 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.54 27.86 6.6 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.807 -0.711 . . . . 15.0 111.668 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.553 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 66.3 mttm -121.64 135.41 54.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.859 0.361 . . . . 15.0 110.487 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.2 m -97.48 113.63 25.35 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.718 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -110.65 139.23 46.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.735 -0.469 . . . . 15.0 109.735 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -100.33 112.57 24.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.76 -0.654 . . . . 15.0 109.94 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -103.99 116.37 32.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.492 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.642 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 39.8 t-20 -89.61 112.42 23.63 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.477 -0.934 . . . . 15.0 108.477 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -71.63 -25.43 62.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.411 -0.813 . . . . 15.0 112.095 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.475 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 22.4 ttm180 -77.85 -35.73 50.76 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.95 -0.3 . . . . 15.0 111.356 -175.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.3 p -109.44 -8.26 15.06 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.895 -0.322 . . . . 15.0 111.809 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.5 mp 69.77 22.28 6.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.273 0.629 . . . . 15.0 110.616 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.41 122.11 32.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.796 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.0 m -106.66 113.34 26.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.465 -0.334 . . . . 15.0 110.291 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 53.3 p -104.55 136.89 43.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.021 0.438 . . . . 15.0 110.626 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -98.88 0.69 44.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.317 0.58 . . . . 15.0 109.583 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -121.58 146.63 46.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.191 -0.913 . . . . 15.0 109.783 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 41.4 mttm -57.53 129.02 80.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 113.026 0.75 . . . . 15.0 113.026 -175.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 18.4 Cg_exo -69.01 147.64 68.12 Favored 'Trans proline' 0 C--O 1.238 0.523 0 C-N-CA 123.283 2.655 . . . . 15.0 111.573 175.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -70.85 -18.12 62.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.212 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -78.46 -8.98 59.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.955 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 7.4 mp -117.79 -65.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.994 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.306 -0.854 . . . . 15.0 110.081 -176.22 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.655 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 5.4 tp10 . . . . . 0 N--CA 1.454 -0.238 0 N-CA-C 107.864 -1.162 . . . . 15.0 107.864 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -89.89 127.95 36.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.793 -1.094 . . . . 15.0 110.511 -173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.9 p -109.97 139.94 44.52 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.606 -0.724 . . . . 15.0 109.613 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -99.72 124.3 44.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.216 0.531 . . . . 15.0 110.195 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -122.56 112.49 18.07 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.201 -0.454 . . . . 15.0 110.339 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -90.12 111.9 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.736 -0.666 . . . . 15.0 109.424 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 444' ' ' LYS . 13.5 t -102.15 150.02 23.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.48 -0.327 . . . . 15.0 110.163 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.65 3.36 3.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.03 0.443 . . . . 15.0 111.739 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.51 -4.15 44.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.513 0.673 . . . . 15.0 109.359 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 31.87 10.51 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.387 -0.824 . . . . 15.0 112.338 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 440' ' ' THR . 77.0 mttt -144.85 138.31 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.309 0.576 . . . . 15.0 111.293 -174.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 37.0 m -113.19 101.72 9.69 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.392 -0.822 . . . . 15.0 109.391 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.472 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 49.9 p90 -101.43 142.91 32.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.966 0.412 . . . . 15.0 110.606 -176.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -100.78 123.23 44.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.422 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.641 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 81.7 t80 -111.07 120.71 43.25 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.744 -0.662 . . . . 15.0 110.657 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.52 ' OD1' ' HB3' ' A' ' 434' ' ' GLU . 42.8 t-20 -89.82 114.97 26.78 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.158 -0.682 . . . . 15.0 109.158 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -74.13 -19.85 60.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.092 -0.504 . . . . 15.0 111.637 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.655 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 17.2 ttm180 -88.66 -30.15 19.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.702 0.287 . . . . 15.0 111.476 -173.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 31.1 p -113.66 -1.16 14.09 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.951 -0.3 . . . . 15.0 111.173 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.8 mp 64.81 22.44 12.53 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.758 -0.655 . . . . 15.0 111.11 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -92.76 111.49 23.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.4 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.641 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 7.2 p -101.06 120.68 40.55 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.01 -0.541 . . . . 15.0 109.897 175.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -129.44 150.21 50.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.279 0.561 . . . . 15.0 111.447 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.6 m95 -90.1 1.53 56.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.826 178.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -107.21 135.68 48.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.866 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 37.5 ttpt -72.15 119.99 77.8 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.914 0.387 . . . . 15.0 110.616 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 22.7 Cg_exo -67.01 152.9 79.47 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 123.485 2.79 . . . . 15.0 111.904 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.71 -15.36 52.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.52 -178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.74 -21.91 65.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.015 0.436 . . . . 15.0 110.532 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.422 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 3.3 mm? -123.57 24.95 8.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.666 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.089 -0.959 . . . . 15.0 112.317 -175.198 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.976 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 1.2 mp0 . . . . . 0 CA--C 1.532 0.284 0 CA-C-O 120.57 0.224 . . . . 15.0 111.251 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 81.6 m95 -89.65 110.1 21.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.372 -0.377 . . . . 15.0 110.484 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.1 m -104.46 110.3 22.52 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.479 -0.563 . . . . 15.0 109.479 175.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.552 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 1.8 pp20? -90.32 149.26 22.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.389 0.614 . . . . 15.0 110.641 -178.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.462 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 61.5 ttt180 -139.22 120.17 14.46 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.34 -0.845 . . . . 15.0 110.135 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.475 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 41.2 mttp -89.94 108.8 19.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.898 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -94.18 150.34 20.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.442 -0.344 . . . . 15.0 110.204 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.53 -5.05 3.31 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.991 -0.55 . . . . 15.0 111.961 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.75 -5.84 36.93 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.43 0.633 . . . . 15.0 110.16 174.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.49 30.73 18.11 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.846 -0.693 . . . . 15.0 112.058 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.461 ' O ' HG22 ' A' ' 440' ' ' THR . 60.7 mttp -143.05 140.06 30.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.647 0.26 . . . . 15.0 110.305 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.475 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 9.9 t -110.23 129.78 55.66 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.768 -0.827 . . . . 15.0 108.768 168.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.581 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 41.1 p90 -116.54 130.89 57.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.22 0.533 . . . . 15.0 110.061 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.552 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 37.2 m-85 -89.94 106.14 18.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.331 -0.85 . . . . 15.0 109.313 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -101.92 114.33 28.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.194 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 21.6 t-20 -90.24 115.6 27.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.895 -0.593 . . . . 15.0 109.651 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -81.05 -0.69 40.9 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.562 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.976 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 69.0 ttt180 -95.38 -44.18 7.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.658 0.266 . . . . 15.0 111.045 -177.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 14.2 p -108.17 2.15 22.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.707 0.289 . . . . 15.0 111.332 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.6 mp 62.47 29.89 17.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.021 -0.536 . . . . 15.0 111.025 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.46 128.64 38.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.362 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.6 t -100.85 106.43 17.8 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 172.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 63.4 m -113.97 127.34 55.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.173 -0.922 . . . . 15.0 110.541 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.581 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.5 m95 -97.44 -2.39 42.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.458 -174.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -109.17 152.17 25.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.097 -0.502 . . . . 15.0 110.282 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -66.83 116.46 35.4 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.267 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.46 143.18 97.25 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.131 2.554 . . . . 15.0 112.01 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -74.56 -14.98 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.987 -174.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -70.21 -16.66 63.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.96 0.409 . . . . 15.0 110.331 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.55 -49.59 3.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.821 -0.437 . . . . 15.0 109.821 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.251 1.137 0 CA-C-N 115.389 -0.823 . . . . 15.0 111.14 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.784 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.235 0.327 0 CA-C-O 121.407 0.623 . . . . 15.0 109.754 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -89.8 120.19 30.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.508 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.2 p -105.01 124.04 48.85 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.989 -0.374 . . . . 15.0 109.989 173.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -89.99 109.89 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -116.81 116.01 26.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.271 0.558 . . . . 15.0 110.454 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 445' ' ' THR . 85.8 mttt -91.78 116.34 28.81 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.263 -0.88 . . . . 15.0 109.507 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 444' ' ' LYS . 10.2 t -89.63 146.73 24.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.346 -0.388 . . . . 15.0 110.429 -175.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.82 -11.55 13.15 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.8 0.687 . . . . 15.0 112.033 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.66 -21.47 66.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.184 0.516 . . . . 15.0 110.181 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 103.86 20.39 10.74 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.839 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 440' ' ' THR . 29.6 mtmm -121.27 141.69 50.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.399 0.619 . . . . 15.0 111.177 -177.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.551 HG23 ' HG2' ' A' ' 439' ' ' LYS . 20.9 m -112.55 105.23 13.39 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.2 -0.909 . . . . 15.0 109.692 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.544 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 54.2 p90 -112.94 142.53 45.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.334 0.587 . . . . 15.0 110.542 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 455' ' ' SER . 79.5 m-85 -103.49 114.85 29.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.535 -175.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -107.31 119.6 39.85 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.576 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -89.85 115.08 26.91 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.219 -1.03 . . . . 15.0 108.219 173.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -77.64 -12.6 59.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.232 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.784 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 4.5 tpp180 -95.44 -21.56 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.443 -0.344 . . . . 15.0 111.435 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.5 p -121.87 -2.03 9.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.76 0.314 . . . . 15.0 111.166 176.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.2 mp 63.54 28.21 15.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.581 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -110.67 136.39 49.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.882 0.372 . . . . 15.0 110.502 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 13.8 t -117.72 120.1 36.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.844 0.354 . . . . 15.0 110.547 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.479 ' HB ' ' OE2' ' A' ' 458' ' ' GLU . 62.2 p -106.23 148.36 28.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.213 -0.449 . . . . 15.0 109.949 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.544 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 94.6 m95 -98.34 4.56 48.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.343 0.592 . . . . 15.0 110.601 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.479 ' OE2' ' HB ' ' A' ' 456' ' ' THR . 0.0 OUTLIER -118.85 153.22 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.703 174.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 25.0 tttp -75.2 118.2 68.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.447 -0.342 . . . . 15.0 111.035 -174.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 36.6 Cg_exo -60.16 140.16 90.9 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.082 2.521 . . . . 15.0 111.309 177.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.874 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 61.4 tt0 -66.19 -18.98 65.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 15.0 111.046 -177.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -68.93 -16.48 63.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.558 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.81 10.83 9.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 15.0 109.948 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.874 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 12.1 tmtt? . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.531 -0.759 . . . . 15.0 109.918 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.746 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 10.1 tp10 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.987 0.422 . . . . 15.0 110.896 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.54 ' HB2' HD13 ' A' ' 463' ' ' LEU . 95.0 m95 -93.46 111.27 22.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.347 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.5 t -103.99 128.85 51.56 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.566 -0.531 . . . . 15.0 109.566 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.608 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.7 pt-20 -98.53 122.78 42.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.094 0.474 . . . . 15.0 110.464 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -125.69 148.25 49.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.741 -0.663 . . . . 15.0 110.433 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -89.86 119.27 30.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 15.0 110.813 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 79.0 m -89.99 142.22 27.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.182 -0.673 . . . . 15.0 109.182 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.91 10.06 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.65 0.611 . . . . 15.0 112.65 -173.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.534 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 33.7 t70 -74.76 -10.62 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.283 0.563 . . . . 15.0 110.455 176.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 97.02 26.08 10.67 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.868 -0.605 . . . . 15.0 112.381 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.534 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 64.1 mttm -126.7 140.75 52.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.715 0.293 . . . . 15.0 110.51 -177.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 m -101.34 109.22 21.03 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.66 -0.496 . . . . 15.0 109.66 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.408 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 13.5 p90 -104.78 144.97 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.98 0.419 . . . . 15.0 111.035 -175.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 72.8 m-85 -99.91 118.7 36.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.697 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -104.09 118.95 37.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.33 -0.85 . . . . 15.0 110.378 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.753 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 24.2 t-20 -99.84 125.77 45.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.474 -0.33 . . . . 15.0 110.508 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.598 ' H ' ' HG3' ' A' ' 434' ' ' GLU . 0.2 OUTLIER -96.12 -9.32 31.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.552 -0.295 . . . . 15.0 111.439 -175.638 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.753 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 18.5 ptt180 -82.21 -25.77 33.9 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.417 -0.513 . . . . 15.0 110.201 -177.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 17.8 p -127.16 -7.79 5.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.488 177.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 452' ' ' THR . 4.0 mm? 71.54 30.81 2.38 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.475 0.655 . . . . 15.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.52 130.65 54.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.041 -0.981 . . . . 15.0 109.196 -176.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.7 t -124.44 122.95 39.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.011 0.434 . . . . 15.0 110.233 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.404 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 9.5 t -122.4 149.96 43.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.815 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.408 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 84.4 m95 -88.35 -2.41 58.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.89 -0.595 . . . . 15.0 109.899 177.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.84 145.38 24.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 15.0 110.148 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -78.18 113.36 32.87 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.337 -0.392 . . . . 15.0 109.953 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.13 142.99 52.31 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.993 2.462 . . . . 15.0 112.216 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.557 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 62.9 tt0 -69.46 -10.27 57.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.163 0.506 . . . . 15.0 110.965 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.404 ' C ' HD12 ' A' ' 463' ' ' LEU . 48.2 mt-10 -72.96 -21.86 60.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.507 . . . . 15.0 110.342 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 435' ' ' TRP . 7.0 mp -132.66 28.42 4.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.575 -0.739 . . . . 15.0 109.839 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.557 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.42 -0.8 . . . . 15.0 110.528 -177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.578 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 111.53 0.196 . . . . 15.0 111.53 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 86.4 m95 -89.93 111.4 22.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.871 0.367 . . . . 15.0 110.202 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 31.5 m -93.01 125.21 37.49 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.52 -0.548 . . . . 15.0 109.52 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -90.08 110.32 21.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.311 0.577 . . . . 15.0 110.587 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -113.98 114.94 26.86 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.348 -0.842 . . . . 15.0 110.267 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -91.02 116.0 28.45 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.266 -0.642 . . . . 15.0 109.266 173.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 444' ' ' LYS . 15.0 t -89.76 149.29 22.78 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.354 -0.385 . . . . 15.0 110.178 -177.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.9 -3.45 3.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.928 -0.578 . . . . 15.0 112.228 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -75.46 -15.48 60.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.605 0.716 . . . . 15.0 109.932 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.2 31.92 6.99 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.893 -0.67 . . . . 15.0 111.923 -178.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 440' ' ' THR . 43.0 mttp -133.4 139.93 47.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.858 0.361 . . . . 15.0 110.573 -178.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 m -108.07 116.44 31.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.157 -0.474 . . . . 15.0 110.026 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 53.7 p90 -120.88 138.92 53.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.316 0.579 . . . . 15.0 110.96 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.474 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 78.1 m-85 -98.33 114.27 26.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.257 -0.883 . . . . 15.0 110.447 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -101.76 116.31 32.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.923 -0.58 . . . . 15.0 109.992 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.528 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 23.4 t-20 -89.91 117.46 28.74 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.773 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -10.5 59.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.994 0.426 . . . . 15.0 110.792 -176.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.578 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 32.9 ttm180 -86.43 -29.09 23.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.396 -0.365 . . . . 15.0 111.001 -176.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.2 p -120.56 -7.81 9.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.449 -0.342 . . . . 15.0 111.471 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 78.9 mt 68.73 26.16 6.2 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.535 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -95.3 136.74 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.574 -0.739 . . . . 15.0 111.118 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -110.38 121.53 45.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.35 -0.611 . . . . 15.0 109.35 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 40.8 p -122.47 145.11 48.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 15.0 111.639 -175.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 92.9 m95 -96.6 12.53 31.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.148 0.499 . . . . 15.0 109.814 174.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -120.89 142.43 49.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.474 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.474 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 40.1 ttmt -78.97 116.99 64.22 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.793 0.33 . . . . 15.0 110.934 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.2 Cg_exo -68.11 151.79 76.94 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.233 2.622 . . . . 15.0 111.627 177.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 13.3 tt0 -64.09 -16.61 62.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 15.0 111.376 -176.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.91 -16.69 60.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.058 0.456 . . . . 15.0 110.792 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -119.68 13.59 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 15.0 109.967 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 17.5 tptm . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.479 -0.772 . . . . 15.0 110.502 -174.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 4.2 mt-10 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.833 0.349 . . . . 15.0 111.151 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.474 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 94.0 m95 -90.05 117.25 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.942 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.4 m -115.96 138.71 50.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.234 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -90.06 118.14 29.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.585 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -123.06 122.94 39.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.29 0.567 . . . . 15.0 110.854 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.487 ' HG2' HG23 ' A' ' 445' ' ' THR . 51.2 mtpt -99.82 120.71 40.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.594 -0.73 . . . . 15.0 109.811 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 444' ' ' LYS . 14.9 t -98.3 150.18 21.82 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.931 -0.308 . . . . 15.0 110.511 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.6 -14.65 63.12 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.363 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.27 -21.74 64.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.196 0.522 . . . . 15.0 110.142 175.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 106.26 32.66 3.65 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.769 -0.65 . . . . 15.0 111.91 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.404 ' O ' HG22 ' A' ' 440' ' ' THR . 65.1 mttm -135.52 136.52 41.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.182 0.515 . . . . 15.0 111.007 -178.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 439' ' ' LYS . 24.4 m -108.87 108.94 19.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.695 177.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.467 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 53.2 p90 -121.83 149.99 42.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.133 0.492 . . . . 15.0 111.101 -175.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 456' ' ' THR . 75.4 m-85 -101.71 118.0 36.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.199 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -101.93 119.58 39.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.309 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.474 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 20.9 t-20 -90.04 113.86 25.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.857 -0.794 . . . . 15.0 108.857 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -77.93 -10.81 59.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.264 0.554 . . . . 15.0 111.037 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -85.94 -28.61 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.053 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 31.8 p -123.14 -2.64 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.835 0.309 . . . . 15.0 111.835 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.2 mp 66.86 23.64 9.93 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.872 0.469 . . . . 15.0 110.974 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.51 127.83 42.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.181 -0.463 . . . . 15.0 111.514 -175.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.9 m -104.38 122.43 45.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.231 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 447' ' ' TYR . 9.9 t -113.47 146.16 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.053 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.4 m95 -98.76 -1.47 40.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.296 0.57 . . . . 15.0 110.097 -175.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -122.32 156.39 33.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.308 -0.86 . . . . 15.0 109.804 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 69.0 mttm -67.9 118.79 61.52 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.398 -178.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.711 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 24.7 Cg_endo -62.01 153.52 68.27 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.171 2.581 . . . . 15.0 111.613 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -57.95 -31.1 66.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 15.0 112.29 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.517 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.4 pm0 -85.96 -4.3 59.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.918 0.34 . . . . 15.0 111.918 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.711 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 10.7 mp -116.99 4.89 12.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 15.0 110.563 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.615 -0.707 . . . . 15.0 110.068 -177.674 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.5 OUTLIER . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 121.056 0.455 . . . . 15.0 111.23 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.447 ' HE3' ' HB3' ' A' ' 447' ' ' TYR . 99.4 m95 -90.63 117.98 29.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.823 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.8 t -124.04 123.79 41.13 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.773 -0.454 . . . . 15.0 109.773 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 11.4 pt-20 -89.86 128.36 36.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.738 0.78 . . . . 15.0 110.127 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 59.1 ttt180 -110.48 117.07 32.57 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.921 -1.036 . . . . 15.0 109.529 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.525 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 42.8 mtmt -91.93 116.12 28.64 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.541 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.8 t -96.27 150.4 20.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.611 -0.722 . . . . 15.0 109.769 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.5 7.07 0.89 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.142 0.423 . . . . 15.0 112.142 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.38 -6.66 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 15.0 109.176 171.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.9 28.05 17.04 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.298 -0.864 . . . . 15.0 112.171 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -142.51 141.19 32.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 15.0 110.615 -175.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.525 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 8.9 t -111.41 137.45 49.17 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.937 -0.574 . . . . 15.0 109.758 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 37.1 p90 -127.19 139.36 52.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.962 0.411 . . . . 15.0 110.316 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 81.2 m-85 -91.58 118.99 31.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.959 -177.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . 0.489 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 74.3 t80 -107.31 119.06 38.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.966 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.0 t-20 -104.55 117.62 34.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.643 177.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -86.11 -4.28 59.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.766 0.284 . . . . 15.0 111.766 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -82.96 -44.52 15.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.453 . . . . 15.0 110.686 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 36.0 p -110.28 -1.42 17.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.347 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 453' ' ' LEU . 4.1 mm? 66.78 25.41 9.66 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.538 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.94 118.0 29.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 15.0 111.067 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.489 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 11.6 p -111.26 114.21 27.24 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 173.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -137.41 150.22 47.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.107 0.48 . . . . 15.0 110.989 -174.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.642 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 89.4 m95 -87.1 -1.54 57.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.989 -0.551 . . . . 15.0 109.625 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -83.81 134.67 34.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.428 -0.805 . . . . 15.0 110.525 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.768 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 2.6 ttmp? -78.1 115.06 47.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 175.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.45 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 35.8 Cg_endo -64.45 151.96 83.48 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.257 2.638 . . . . 15.0 112.655 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.87 -21.25 63.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.727 -0.67 . . . . 15.0 110.836 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.447 ' C ' HD12 ' A' ' 463' ' ' LEU . 11.7 tp10 -80.71 -16.03 54.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 15.0 111.398 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.45 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 7.3 mp -131.67 17.95 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.481 -0.327 . . . . 15.0 110.929 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.768 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.5 ttpm? . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.065 -0.969 . . . . 15.0 110.767 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 1.027 ' HG3' ' HB3' ' A' ' 451' ' ' ARG . 27.0 tt0 . . . . . 0 N--CA 1.45 -0.429 0 CA-C-O 120.43 0.157 . . . . 15.0 110.627 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -116.23 118.05 31.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.009 0.433 . . . . 15.0 111.055 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.8 p -133.78 128.32 34.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.878 -0.601 . . . . 15.0 110.231 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -90.05 131.47 35.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.084 0.469 . . . . 15.0 110.515 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -129.92 120.64 25.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.292 0.568 . . . . 15.0 110.645 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 445' ' ' THR . 54.4 tttp -89.83 108.29 19.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.347 -0.842 . . . . 15.0 108.744 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 444' ' ' LYS . 14.9 t -89.99 150.16 22.25 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.748 -173.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.47 -12.66 10.27 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.691 -0.686 . . . . 15.0 111.994 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -68.24 -9.78 49.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.289 0.566 . . . . 15.0 110.64 175.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.34 25.98 14.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.953 -0.641 . . . . 15.0 112.425 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 440' ' ' THR . 59.3 mttp -136.75 139.08 41.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.947 0.403 . . . . 15.0 110.715 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 11.8 m -106.44 104.12 13.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.078 -0.51 . . . . 15.0 109.743 177.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -116.17 150.1 38.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.918 0.389 . . . . 15.0 110.441 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -97.32 117.55 31.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.3 0.572 . . . . 15.0 110.659 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -90.33 125.81 35.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.401 -0.818 . . . . 15.0 109.987 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.701 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 19.3 t-20 -89.81 117.61 28.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.795 -0.639 . . . . 15.0 109.589 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -94.5 -17.97 21.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.54 0.57 . . . . 15.0 112.54 -169.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 1.027 ' HB3' ' HG3' ' A' ' 434' ' ' GLU . 38.5 ttm180 -92.81 -50.49 5.54 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.146 -0.622 . . . . 15.0 111.935 -176.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.84 1.69 43.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.164 0.431 . . . . 15.0 112.164 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.5 mt 62.05 89.89 0.08 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.654 0.74 . . . . 15.0 111.554 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -149.89 148.94 29.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.415 -0.811 . . . . 15.0 109.883 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.2 p -125.74 102.43 7.32 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.077 0.465 . . . . 15.0 109.828 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.9 t -106.12 142.28 36.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.977 -0.556 . . . . 15.0 110.099 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -107.28 -17.63 14.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.308 0.575 . . . . 15.0 110.181 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -92.47 153.46 19.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.4 -0.818 . . . . 15.0 110.053 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.506 ' HE2' ' HB3' ' A' ' 463' ' ' LEU . 18.8 tptm -67.71 117.41 47.6 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.244 -177.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.531 ' HB2' HD23 ' A' ' 463' ' ' LEU . 25.0 Cg_exo -63.7 145.26 90.98 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 123.002 2.468 . . . . 15.0 111.912 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -41.55 67.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.498 -0.774 . . . . 15.0 110.667 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.24 -21.53 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 15.0 111.998 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 460' ' ' PRO . 3.6 mm? -94.34 -52.89 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.997 -0.372 . . . . 15.0 109.997 178.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? . . . . . 0 C--O 1.249 1.07 0 CA-C-N 115.348 -0.842 . . . . 15.0 110.96 179.636 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 112.312 0.486 . . . . 15.0 112.312 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -92.08 109.84 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.797 0.332 . . . . 15.0 111.163 -177.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.9 t -94.88 140.03 30.5 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -94.31 118.05 31.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.176 0.512 . . . . 15.0 110.514 -178.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 438' ' ' ARG . 9.8 tpt180 -119.03 129.58 55.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.014 0.435 . . . . 15.0 110.67 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -89.65 122.08 32.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.978 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 442' ' ' ASP . 23.4 m -107.15 132.35 53.12 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.507 -0.769 . . . . 15.0 109.83 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.44 -4.67 6.07 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.931 -175.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 440' ' ' THR . 18.7 t70 -69.77 -17.64 63.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.426 0.632 . . . . 15.0 110.314 173.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 106.31 16.95 13.32 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.846 -0.693 . . . . 15.0 112.045 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.499 ' HD2' ' CE3' ' A' ' 457' ' ' TRP . 20.9 mttp -124.83 150.11 46.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.783 0.325 . . . . 15.0 110.269 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.3 m -114.06 97.71 6.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.769 -0.826 . . . . 15.0 108.769 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.646 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 19.6 p90 -89.97 134.14 34.4 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.455 0.645 . . . . 15.0 110.218 -173.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.443 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 98.1 m-85 -99.85 116.2 31.36 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.265 -0.88 . . . . 15.0 109.916 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -104.06 124.95 49.97 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.033 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.1 t-20 -89.94 114.84 26.73 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.434 -0.58 . . . . 15.0 109.434 177.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -78.16 -0.3 27.79 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.545 0.572 . . . . 15.0 112.545 -174.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -98.25 -47.38 5.47 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.785 -0.366 . . . . 15.0 110.994 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 44.7 p -103.98 0.89 30.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.588 -0.278 . . . . 15.0 111.411 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.0 mp 62.12 36.07 15.38 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.021 -0.536 . . . . 15.0 110.187 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -89.92 140.31 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.232 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -127.78 122.07 31.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.488 -0.324 . . . . 15.0 110.226 -177.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.0 t -136.33 138.43 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.769 0.318 . . . . 15.0 110.897 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.646 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 89.9 m95 -89.78 -5.41 56.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.24 0.543 . . . . 15.0 109.816 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.73 137.26 51.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.118 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.443 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 37.4 ttmt -58.46 122.52 60.73 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.882 -0.599 . . . . 15.0 112.099 -177.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.3 Cg_exo -68.78 160.5 49.35 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.448 2.765 . . . . 15.0 112.207 178.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . 0.404 ' HB3' HE21 ' A' ' 461' ' ' GLN . 3.3 tt0 -56.85 -27.72 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.997 -1.002 . . . . 15.0 111.163 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -70.11 -13.94 62.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.62 . . . . 15.0 111.396 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.1 mp -124.83 12.05 8.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.014 0.435 . . . . 15.0 110.028 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 11.3 ttpp . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.788 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.603 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 5.1 tp10 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.49 0.662 . . . . 15.0 109.627 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 93.2 m95 -92.01 126.65 37.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.181 -0.918 . . . . 15.0 110.412 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.7 p -103.35 123.75 47.4 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.9 -0.408 . . . . 15.0 109.9 172.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -89.81 116.87 28.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.864 0.364 . . . . 15.0 110.741 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -119.18 108.06 14.21 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.133 0.492 . . . . 15.0 110.33 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 439' ' ' LYS . 5.0 ttmp? -96.92 112.79 24.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.641 -0.709 . . . . 15.0 109.593 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.7 t -101.47 149.92 23.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.825 0.345 . . . . 15.0 111.085 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.88 -5.98 3.36 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.581 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.0 -14.91 61.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.386 0.612 . . . . 15.0 109.889 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 97.44 19.28 25.88 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.686 -0.688 . . . . 15.0 111.676 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -129.85 143.74 50.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.815 0.34 . . . . 15.0 110.583 -173.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.7 m -121.27 102.46 8.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.438 -0.579 . . . . 15.0 109.438 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.588 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 21.0 p90 -110.38 132.61 54.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.551 0.691 . . . . 15.0 110.842 -176.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . 0.418 ' CE2' HD22 ' A' ' 463' ' ' LEU . 85.7 m-85 -91.69 120.89 32.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.634 -1.167 . . . . 15.0 110.146 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -98.95 118.31 35.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.009 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.729 ' OD1' ' HG3' ' A' ' 451' ' ' ARG . 26.4 t-20 -89.96 122.33 32.89 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.394 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.519 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 20.1 m120 -92.21 -13.38 30.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.76 0.652 . . . . 15.0 112.76 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.729 ' HG3' ' OD1' ' A' ' 449' ' ' ASN . 0.2 OUTLIER -77.82 -13.28 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.233 -0.587 . . . . 15.0 110.306 -175.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . 0.543 HG23 ' HD3' ' A' ' 451' ' ' ARG . 10.7 p -142.26 -88.72 0.14 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.128 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.6 tt 172.48 86.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.635 -1.246 . . . . 15.0 107.635 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . 0.627 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 13.1 tp10 -134.75 126.25 28.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.679 -173.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.0 p -108.37 102.05 11.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.09 0.472 . . . . 15.0 109.91 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 458' ' ' GLU . 21.7 m -107.68 125.67 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.758 -174.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.588 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 98.5 m95 -93.83 -4.22 50.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 15.0 111.95 -173.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 456' ' ' THR . 0.9 OUTLIER -123.36 148.18 46.3 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.039 -1.097 . . . . 15.0 108.039 175.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 44.5 mtpt -58.67 119.22 34.98 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.945 0.402 . . . . 15.0 111.352 -174.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.4 Cg_endo -58.33 154.53 40.38 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.267 2.644 . . . . 15.0 111.694 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -61.59 -9.35 5.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.775 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . 0.446 ' C ' HD12 ' A' ' 463' ' ' LEU . 30.9 mt-10 -88.78 -15.61 34.2 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.671 0.249 . . . . 15.0 111.671 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 462' ' ' GLU . 7.7 mp -130.09 -2.13 4.58 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.693 -0.231 . . . . 15.0 111.43 -176.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 49.9 tttp . . . . . 0 C--O 1.254 1.332 0 CA-C-O 118.431 -0.795 . . . . 15.0 111.885 -171.394 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' GLU . . . . . 0.641 ' HG2' ' CB ' ' A' ' 451' ' ' ARG . 5.6 tp10 . . . . . 0 N--CA 1.467 0.42 0 CA-C-O 120.845 0.355 . . . . 15.0 111.408 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.7 m95 -89.81 113.06 24.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.107 0.479 . . . . 15.0 110.994 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.3 m -109.14 115.96 31.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.201 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -89.9 131.81 35.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.286 0.565 . . . . 15.0 110.774 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -120.57 116.41 25.32 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.089 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -90.01 115.89 27.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.759 -0.655 . . . . 15.0 109.93 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.5 t -90.02 146.83 24.06 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.96 -8.44 22.64 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.555 -175.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.27 -23.23 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.406 173.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 104.67 30.4 4.93 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.743 -0.741 . . . . 15.0 112.027 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' LYS . . . . . 0.401 ' O ' HG22 ' A' ' 440' ' ' THR . 30.8 mtmm -132.05 138.44 48.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.859 0.361 . . . . 15.0 110.516 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.5 m -114.3 100.22 8.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.081 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' TYR . . . . . 0.523 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 55.9 p90 -99.37 139.92 34.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.266 0.555 . . . . 15.0 110.427 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -97.54 118.57 34.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.567 -0.742 . . . . 15.0 110.189 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -104.73 119.91 40.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.195 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' ASN . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 14.5 t-20 -89.97 116.59 28.13 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' ASN . . . . . 0.429 ' H ' ' HG3' ' A' ' 434' ' ' GLU . 28.5 t-20 -78.81 -14.85 59.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.437 -0.347 . . . . 15.0 111.783 -172.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ARG . . . . . 0.641 ' CB ' ' HG2' ' A' ' 434' ' ' GLU . 31.3 ttp180 -92.96 -29.45 15.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 15.0 111.399 -176.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 39.6 p -110.36 -4.83 15.42 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.781 -0.368 . . . . 15.0 111.387 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 11.2 mp 63.59 24.1 13.85 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.976 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -92.45 119.76 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.837 -0.62 . . . . 15.0 111.235 -174.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -105.96 117.32 33.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.707 -0.479 . . . . 15.0 109.707 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.5 t -121.4 148.38 44.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.154 -0.476 . . . . 15.0 110.787 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' TRP . . . . . 0.523 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.4 m95 -93.9 -1.24 55.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 15.0 109.62 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -101.82 151.46 22.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.196 -0.911 . . . . 15.0 110.027 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 68.5 mttm -80.19 118.44 72.43 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.864 -0.421 . . . . 15.0 109.864 176.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.512 ' HD2' HD23 ' A' ' 463' ' ' LEU . 32.4 Cg_exo -59.28 156.33 35.84 Favored 'Trans proline' 0 CA--C 1.52 -0.219 0 C-N-CA 123.492 2.795 . . . . 15.0 112.095 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -60.78 -17.67 50.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.593 -0.731 . . . . 15.0 111.36 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -73.01 -24.78 60.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.532 -0.304 . . . . 15.0 111.048 176.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' LEU . . . . . 0.512 HD23 ' HD2' ' A' ' 460' ' ' PRO . 2.5 mm? -109.84 -26.15 9.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.564 0.221 . . . . 15.0 111.186 -177.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' LYS . . . . . 0.431 ' HE2' ' C ' ' A' ' 464' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.563 -0.732 . . . . 15.0 109.982 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 47.6 t . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.503 -0.554 . . . . 15.0 109.503 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 3.3 p -70.2 93.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.257 0.551 . . . . 15.0 110.983 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.651 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -80.72 24.94 0.45 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.719 -0.673 . . . . 15.0 111.027 179.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -89.9 104.5 17.06 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.136 0.493 . . . . 15.0 110.148 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 39.7 p -102.64 123.54 46.54 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.435 -0.802 . . . . 15.0 109.697 176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.412 ' HG2' ' H ' ' A' ' 437' ' ' GLU . 9.3 pt-20 -90.25 115.7 27.67 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.424 0.631 . . . . 15.0 110.712 -178.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.423 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 79.2 ttt180 -101.82 112.88 25.65 Favored 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 115.416 -0.811 . . . . 15.0 109.676 177.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.573 ' HG2' HG23 ' A' ' 445' ' ' THR . 75.3 mttt -92.29 104.8 17.11 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.729 -0.669 . . . . 15.0 109.388 -179.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 444' ' ' LYS . 11.0 t -90.07 149.21 22.6 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.277 -0.42 . . . . 15.0 110.753 -174.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.98 -12.19 47.2 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.803 -0.635 . . . . 15.0 111.228 -177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -64.53 -12.57 45.92 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.742 -0.663 . . . . 15.0 110.215 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.9 26.66 10.22 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.872 -0.604 . . . . 15.0 112.134 176.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.501 ' O ' HG22 ' A' ' 440' ' ' THR . 61.8 mttp -136.56 140.34 42.85 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.953 0.406 . . . . 15.0 110.882 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.573 HG23 ' HG2' ' A' ' 439' ' ' LYS . 41.1 m -115.24 100.26 8.0 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.964 -0.562 . . . . 15.0 109.955 176.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.469 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 25.4 p90 -101.27 139.35 37.07 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.164 0.507 . . . . 15.0 109.862 -179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 459' ' ' LYS . 83.5 m-85 -94.27 116.04 28.37 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.784 -0.644 . . . . 15.0 110.248 -176.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -108.09 121.05 44.03 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.209 -0.905 . . . . 15.0 110.18 -175.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.463 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.0 t-20 -90.2 114.22 26.16 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.382 -0.599 . . . . 15.0 109.382 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.6 -1.57 38.6 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.781 -0.645 . . . . 15.0 111.164 -173.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.651 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 16.8 tpp180 -96.13 -51.42 4.43 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 121.069 -0.252 . . . . 15.0 110.683 -179.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.3 p -95.6 -3.43 46.37 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.423 -0.353 . . . . 15.0 111.562 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.3 mm? 66.12 30.91 9.16 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.281 0.562 . . . . 15.0 110.14 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -89.68 129.27 36.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.343 -0.844 . . . . 15.0 110.61 -176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 28.4 p -123.83 113.14 18.14 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.872 0.368 . . . . 15.0 110.284 177.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -131.02 149.98 52.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.087 -0.506 . . . . 15.0 110.85 -177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 88.3 m95 -94.83 3.17 55.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.955 -0.566 . . . . 15.0 110.398 -178.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -124.35 126.9 46.76 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.8 -0.636 . . . . 15.0 109.533 178.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.871 ' H ' ' HD3' ' A' ' 459' ' ' LYS . 0.0 OUTLIER -70.71 127.78 91.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-O 121.156 0.503 . . . . 15.0 111.763 -175.051 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -51.08 165.18 0.53 Allowed 'Trans proline' 0 N--CA 1.475 0.436 0 C-N-CA 124.233 3.288 . . . . 15.0 113.172 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -53.07 -23.5 7.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.921 -1.036 . . . . 15.0 111.666 177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -63.33 -22.86 67.14 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 121.344 0.592 . . . . 15.0 110.641 176.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 459' ' ' LYS . 62.0 mt -119.52 -73.3 0.65 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.496 -0.775 . . . . 15.0 109.675 -177.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.539 ' HB3' ' NZ ' ' A' ' 464' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.243 0.727 0 O-C-N 123.94 0.775 . . . . 15.0 111.248 175.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 29.4 m . . . . . 0 N--CA 1.482 1.162 0 N-CA-C 110.31 -0.256 . . . . 15.0 110.31 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 59.1 m -53.96 104.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.412 -0.588 . . . . 15.0 109.412 170.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.552 ' H ' ' ND2' ' A' ' 449' ' ' ASN . 2.0 mt-10 -130.5 52.24 2.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.717 -0.674 . . . . 15.0 109.3 -169.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -90.08 119.66 30.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.184 -0.916 . . . . 15.0 110.464 -176.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 15.4 t -95.91 135.57 37.49 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.152 -0.685 . . . . 15.0 109.152 174.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -89.78 102.43 15.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.859 0.837 . . . . 15.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 438' ' ' ARG . 20.3 tpt180 -97.22 113.75 25.39 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.198 -0.91 . . . . 15.0 109.775 177.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -89.84 106.23 18.33 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.772 -0.649 . . . . 15.0 110.11 -176.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 9.8 m -91.77 136.14 33.37 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.856 -1.065 . . . . 15.0 110.683 -174.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -66.29 2.6 1.15 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.106 0.41 . . . . 15.0 112.106 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.99 -1.16 38.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.481 0.658 . . . . 15.0 109.595 174.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.04 17.87 52.25 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.549 -0.75 . . . . 15.0 111.696 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 59.6 mttp -136.01 137.84 41.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.91 0.386 . . . . 15.0 110.417 -175.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 29.0 m -104.6 99.72 9.39 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 109.291 -0.633 . . . . 15.0 109.291 174.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.456 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 18.9 p90 -90.07 131.36 35.98 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.69 -0.485 . . . . 15.0 109.69 -175.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -93.88 122.84 36.78 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.8 -0.636 . . . . 15.0 110.668 -175.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.595 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 88.8 t80 -116.29 123.69 48.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.546 -0.752 . . . . 15.0 110.336 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.552 ' ND2' ' H ' ' A' ' 434' ' ' GLU . 22.3 t-20 -89.76 111.16 22.08 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.441 -0.948 . . . . 15.0 108.441 176.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -73.12 -13.93 61.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.151 -0.477 . . . . 15.0 111.444 -173.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 451' ' ' ARG . 8.8 tpt180 -84.55 -49.54 8.51 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.405 -0.362 . . . . 15.0 111.205 -177.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 25.3 p -102.01 0.23 34.75 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.702 0.26 . . . . 15.0 111.702 -178.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 9.5 mp 65.12 28.22 12.28 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.147 -0.478 . . . . 15.0 111.18 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -89.73 119.77 30.42 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.997 -0.547 . . . . 15.0 110.91 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.595 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 3.5 p -116.49 124.04 48.95 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.738 0.304 . . . . 15.0 110.734 -179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 4.4 t -135.34 147.26 49.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.382 -0.372 . . . . 15.0 111.493 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.456 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.2 m95 -95.86 -12.23 25.54 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 121.191 0.519 . . . . 15.0 110.024 176.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -97.34 146.49 25.1 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.745 -0.835 . . . . 15.0 108.745 175.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -66.08 122.52 81.58 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 123.226 0.329 . . . . 15.0 111.133 -175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_exo -58.3 153.55 46.23 Favored 'Trans proline' 0 CA--C 1.514 -0.502 0 C-N-CA 122.71 2.273 . . . . 15.0 110.31 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -56.65 -27.22 58.1 Favored 'General case' 0 C--N 1.317 -0.807 0 O-C-N 123.356 0.41 . . . . 15.0 111.929 -175.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -76.42 -11.09 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.764 0.316 . . . . 15.0 111.485 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 75.5 mt -134.77 12.88 3.69 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.009 -0.541 . . . . 15.0 111.407 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 49.3 tptt . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.949 -0.548 . . . . 15.0 111.043 -174.006 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.884 0.373 . . . . 15.0 111.057 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 58.6 m -77.02 124.83 28.35 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.191 -0.459 . . . . 15.0 111.095 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.77 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 7.8 tp10 -108.08 13.35 26.07 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.069 -0.715 . . . . 15.0 109.069 172.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.2 m95 -89.74 112.55 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.731 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.2 p -98.16 146.73 25.29 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.579 -0.282 . . . . 15.0 111.084 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -89.62 120.19 30.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.991 -0.55 . . . . 15.0 110.149 -176.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.436 ' HD3' ' CE1' ' A' ' 446' ' ' TYR . 69.6 ttt180 -126.5 105.2 8.58 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 120.717 -0.393 . . . . 15.0 110.939 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.789 ' HG2' HG23 ' A' ' 445' ' ' THR . 9.9 mtmp? -97.41 107.08 19.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.557 -0.534 . . . . 15.0 109.557 176.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 12.1 t -91.5 150.23 21.31 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.019 -0.537 . . . . 15.0 110.705 -176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.18 -4.66 1.2 Allowed 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.609 0.596 . . . . 15.0 112.609 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -79.18 2.41 21.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.569 0.699 . . . . 15.0 109.716 175.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 81.27 30.25 38.03 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.645 -0.707 . . . . 15.0 112.242 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -134.26 136.3 43.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.234 0.54 . . . . 15.0 111.169 -175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.789 HG23 ' HG2' ' A' ' 439' ' ' LYS . 13.1 m -112.83 102.85 10.84 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.031 -0.986 . . . . 15.0 109.411 178.214 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.436 ' CE1' ' HD3' ' A' ' 438' ' ' ARG . 12.8 p90 -119.92 150.14 40.98 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.977 0.418 . . . . 15.0 110.673 -175.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -101.38 125.77 48.06 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.608 -0.724 . . . . 15.0 111.176 -175.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -115.46 122.03 44.52 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.389 -0.823 . . . . 15.0 110.002 176.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -90.01 117.32 28.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.202 -0.666 . . . . 15.0 109.202 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 33.4 m-80 -81.02 -0.11 38.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.303 -0.408 . . . . 15.0 111.559 -173.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.77 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 12.5 ttm180 -108.86 -28.03 9.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.819 0.342 . . . . 15.0 111.192 -177.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 70.9 p -112.65 -2.6 14.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.827 0.346 . . . . 15.0 110.898 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.5 mp 60.86 34.35 19.66 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.662 -0.699 . . . . 15.0 111.227 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -96.92 117.32 30.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.949 -0.569 . . . . 15.0 111.375 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 4.0 p -102.71 109.76 21.46 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 171.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 14.9 t -123.99 149.96 45.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.787 0.327 . . . . 15.0 110.647 -176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -96.39 -1.09 48.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.075 0.464 . . . . 15.0 110.87 -177.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -106.48 139.01 41.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.793 -0.64 . . . . 15.0 110.037 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.675 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 21.8 ttmm -68.98 120.23 74.99 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 110.357 -0.238 . . . . 15.0 110.357 177.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.0 Cg_exo -67.38 154.25 74.46 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.947 2.431 . . . . 15.0 112.105 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -63.48 -14.88 55.38 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.596 -0.729 . . . . 15.0 112.214 -176.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -88.11 -9.36 53.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 122.281 -0.262 . . . . 15.0 111.527 -177.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 34.4 mt -126.44 11.82 7.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.89 0.376 . . . . 15.0 110.93 176.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.675 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 1.6 ttpm? . . . . . 0 C--O 1.246 0.893 0 CA-C-O 118.597 -0.716 . . . . 15.0 110.192 179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 N--CA 1.478 0.949 0 CA-C-O 120.998 0.428 . . . . 15.0 110.831 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 28.3 m -141.92 123.81 15.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.058 -0.519 . . . . 15.0 109.999 179.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.651 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 4.0 tp10 -98.53 24.84 6.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.881 0.372 . . . . 15.0 110.438 -177.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -90.17 123.19 33.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.062 0.458 . . . . 15.0 111.312 -176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.3 m -121.66 125.63 47.12 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.161 -0.681 . . . . 15.0 109.161 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.494 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.6 pt-20 -89.79 125.74 35.42 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.732 0.777 . . . . 15.0 110.577 -177.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.437 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 48.7 ttt180 -113.85 113.58 25.09 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.003 -0.999 . . . . 15.0 109.979 179.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.459 ' HG2' ' CB ' ' A' ' 445' ' ' THR . 46.4 mttm -93.2 110.44 21.95 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.905 -0.589 . . . . 15.0 109.565 178.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.8 t -90.08 150.3 22.13 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.885 -0.598 . . . . 15.0 110.607 -176.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.68 -9.56 9.53 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.616 -0.72 . . . . 15.0 112.065 -175.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -65.36 -22.86 66.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.405 0.622 . . . . 15.0 110.323 173.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.31 35.83 3.77 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.81 -0.71 . . . . 15.0 112.032 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 32.6 mtmm -142.32 141.36 32.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.015 0.436 . . . . 15.0 110.575 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.459 ' CB ' ' HG2' ' A' ' 439' ' ' LYS . 3.6 t -116.66 112.14 20.83 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.679 -0.691 . . . . 15.0 110.0 178.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.437 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 36.0 p90 -112.89 148.1 35.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.04 0.448 . . . . 15.0 110.558 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.558 ' CE2' ' HG ' ' A' ' 463' ' ' LEU . 62.4 m-85 -95.5 118.93 33.11 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.668 -0.696 . . . . 15.0 110.638 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -107.58 115.98 31.13 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.435 -0.802 . . . . 15.0 110.406 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.462 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 17.6 t-20 -90.04 111.34 22.42 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 108.867 -0.79 . . . . 15.0 108.867 175.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -74.24 -13.83 60.83 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.838 0.351 . . . . 15.0 111.517 -174.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.651 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 44.9 ttt180 -87.83 -29.62 20.8 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 121.158 -0.217 . . . . 15.0 111.365 -176.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 33.6 p -114.75 -6.45 12.69 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.651 0.241 . . . . 15.0 111.651 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 87.0 mt 67.86 23.39 8.44 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.178 0.514 . . . . 15.0 110.179 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -90.02 132.8 35.18 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.469 -0.787 . . . . 15.0 110.933 -175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 30.2 p -120.02 113.44 20.52 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.786 0.327 . . . . 15.0 110.437 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.51 ' HB ' ' OE2' ' A' ' 458' ' ' GLU . 73.2 p -110.85 147.11 35.23 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.543 -0.299 . . . . 15.0 110.491 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -93.02 -3.79 53.72 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.448 0.642 . . . . 15.0 109.914 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.51 ' OE2' ' HB ' ' A' ' 456' ' ' THR . 0.8 OUTLIER -124.83 145.31 49.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.006 -0.997 . . . . 15.0 109.547 177.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 0.8 OUTLIER -71.4 119.29 72.93 Favored Pre-proline 0 C--N 1.326 -0.447 0 CA-C-O 120.895 0.378 . . . . 15.0 110.969 -179.052 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.844 ' HD2' HD23 ' A' ' 463' ' ' LEU . 52.5 Cg_exo -57.52 161.77 11.42 Favored 'Trans proline' 0 CA--C 1.517 -0.329 0 C-N-CA 122.749 2.3 . . . . 15.0 111.243 170.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -51.04 -24.32 3.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.438 -0.801 . . . . 15.0 112.207 -179.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -72.62 -17.28 61.69 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.682 0.277 . . . . 15.0 111.432 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.844 HD23 ' HD2' ' A' ' 460' ' ' PRO . 1.0 OUTLIER -121.88 8.82 9.95 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 109.725 -0.472 . . . . 15.0 109.725 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.4 tmtp? . . . . . 0 C--O 1.246 0.916 0 CA-C-O 118.42 -0.8 . . . . 15.0 109.797 -174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.481 1.088 0 CA-C-O 120.7 0.286 . . . . 15.0 110.554 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.5 p -152.3 126.88 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.217 -0.447 . . . . 15.0 110.218 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.488 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 6.3 tp10 -146.85 25.15 1.17 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.408 0.623 . . . . 15.0 109.917 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.405 ' HE3' ' HB3' ' A' ' 447' ' ' TYR . 81.5 m95 -97.4 120.75 38.33 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.814 -0.63 . . . . 15.0 110.307 -179.374 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 26.6 m -90.09 109.7 20.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.986 -0.552 . . . . 15.0 109.676 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -89.98 123.38 33.84 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.608 -0.724 . . . . 15.0 109.769 -178.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.472 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 66.7 ttt180 -147.23 134.26 20.35 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.197 -0.456 . . . . 15.0 110.82 -178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HE2' ' HB2' ' A' ' 439' ' ' LYS . 3.3 mppt? -89.66 127.39 35.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.052 0.453 . . . . 15.0 110.367 175.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -90.14 148.75 22.79 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.553 -0.749 . . . . 15.0 109.277 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.06 -18.19 22.93 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 112.296 0.48 . . . . 15.0 112.296 -177.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -75.27 -6.32 49.22 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 121.18 0.514 . . . . 15.0 111.043 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.01 41.74 6.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.825 -0.702 . . . . 15.0 111.658 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 50.4 mmtm -126.28 143.52 51.12 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.409 -0.219 . . . . 15.0 110.409 -176.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 26.1 m -111.32 101.36 9.84 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.466 -0.568 . . . . 15.0 109.466 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.472 ' OH ' ' HD3' ' A' ' 438' ' ' ARG . 18.8 p90 -109.59 137.81 46.87 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.124 0.488 . . . . 15.0 110.161 -176.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 455' ' ' SER . 79.5 m-85 -103.03 114.37 28.6 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.752 -0.658 . . . . 15.0 110.502 179.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -97.22 107.2 19.67 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.683 -0.488 . . . . 15.0 109.683 178.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.416 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 25.1 t-20 -89.96 129.16 36.34 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 116.214 -0.448 . . . . 15.0 110.831 -177.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -99.96 -2.05 35.6 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.652 0.612 . . . . 15.0 112.652 -176.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.488 ' HB3' ' HG2' ' A' ' 434' ' ' GLU . 4.3 ptm180 -96.82 -24.42 15.91 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 120.178 -0.609 . . . . 15.0 111.459 -178.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 36.3 p -126.96 -3.98 6.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.524 0.202 . . . . 15.0 110.966 176.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 58.96 77.8 0.29 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 121.521 0.677 . . . . 15.0 111.314 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -150.09 134.88 17.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.178 -0.919 . . . . 15.0 109.89 178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 27.9 t -110.38 111.11 22.17 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.492 -0.559 . . . . 15.0 109.492 176.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 48.5 p -104.82 149.97 25.21 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.707 -0.679 . . . . 15.0 111.128 -176.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 87.3 m95 -105.36 -5.4 20.49 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.068 -0.715 . . . . 15.0 109.068 176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -97.02 149.58 21.76 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.047 -0.979 . . . . 15.0 109.709 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.447 ' HE2' ' O ' ' A' ' 463' ' ' LEU . 3.6 tmtp? -76.81 111.07 13.86 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.653 -0.499 . . . . 15.0 109.653 178.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.0 Cg_exo -68.88 141.0 47.57 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.121 2.547 . . . . 15.0 111.83 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.851 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 10.1 tt0 -66.63 -17.9 65.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.107 0.479 . . . . 15.0 111.114 -178.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -68.37 -14.98 63.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.258 0.551 . . . . 15.0 110.438 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.447 ' O ' ' HE2' ' A' ' 459' ' ' LYS . 8.7 mp -128.33 11.82 6.43 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.928 -0.578 . . . . 15.0 110.228 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.851 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 38.1 ttpt . . . . . 0 C--O 1.248 1.014 0 O-C-N 123.884 0.74 . . . . 15.0 112.619 -170.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 44.0 t . . . . . 0 N--CA 1.481 1.101 0 N-CA-C 110.008 -0.367 . . . . 15.0 110.008 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 24.0 p 54.74 103.86 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.01 0.924 . . . . 15.0 112.29 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.3 OUTLIER -80.28 18.86 0.82 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.418 -0.81 . . . . 15.0 111.953 -175.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.521 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 97.5 m95 -89.74 116.96 28.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.675 0.274 . . . . 15.0 110.3 178.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.7 t -121.94 136.38 54.92 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.439 -0.578 . . . . 15.0 109.439 175.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -90.0 107.94 19.42 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.997 0.904 . . . . 15.0 110.247 -179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.605 ' HD2' ' CE2' ' A' ' 446' ' ' TYR . 0.7 OUTLIER -90.06 125.71 35.51 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 114.723 -1.126 . . . . 15.0 109.007 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -89.79 118.15 29.17 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.658 -0.701 . . . . 15.0 110.367 -173.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 1.2 m -89.91 131.51 35.79 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.578 -0.737 . . . . 15.0 109.373 -178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.32 -5.85 8.41 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.317 0.488 . . . . 15.0 112.317 -173.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -80.55 -9.63 59.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.024 0.44 . . . . 15.0 110.683 179.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.16 36.44 3.63 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.829 -0.701 . . . . 15.0 112.508 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 444' ' ' LYS . 6.6 ptpt -150.26 150.08 31.04 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.132 -0.321 . . . . 15.0 110.132 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 6.9 t -113.64 139.55 48.94 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 110.137 -0.32 . . . . 15.0 110.137 178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.605 ' CE2' ' HD2' ' A' ' 438' ' ' ARG . 23.0 p90 -129.72 138.45 51.13 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.826 -0.435 . . . . 15.0 109.826 178.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.414 ' O ' ' HA ' ' A' ' 455' ' ' SER . 29.6 m-85 -90.13 124.14 34.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.071 0.462 . . . . 15.0 111.284 -176.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -112.98 125.91 54.92 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.452 -0.794 . . . . 15.0 109.845 178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.6 t-20 -107.55 119.17 38.67 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.326 -0.397 . . . . 15.0 110.147 178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -72.31 -15.36 61.89 Favored 'General case' 0 C--N 1.327 -0.383 0 O-C-N 123.403 0.439 . . . . 15.0 111.836 -176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.505 ' HB3' ' OD1' ' A' ' 449' ' ' ASN . 51.7 ttp180 -83.82 -42.01 16.92 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.637 0.256 . . . . 15.0 111.342 -177.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.587 HG23 ' HB2' ' A' ' 454' ' ' GLU . 10.1 t -105.85 -4.28 20.94 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.556 -0.293 . . . . 15.0 110.885 -178.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.9 mp 62.32 32.72 16.89 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 116.144 -0.48 . . . . 15.0 110.824 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.587 ' HB2' HG23 ' A' ' 452' ' ' THR . 4.8 mm-40 -105.78 134.97 48.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.63 -175.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 22.8 p -119.73 112.07 18.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.598 -0.728 . . . . 15.0 109.247 175.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 15.2 t -128.18 150.08 50.16 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.937 0.399 . . . . 15.0 111.012 -173.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.568 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 89.0 m95 -93.19 -3.64 53.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.011 -0.54 . . . . 15.0 110.987 -176.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -114.88 140.42 48.99 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.425 -0.583 . . . . 15.0 109.425 179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.408 ' HG2' ' CE1' ' A' ' 447' ' ' TYR . 89.4 mttt -69.55 119.14 68.91 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 120.999 0.428 . . . . 15.0 111.244 -176.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.481 ' HD2' HD23 ' A' ' 463' ' ' LEU . 37.1 Cg_exo -62.82 160.51 32.83 Favored 'Trans proline' 0 CA--C 1.517 -0.353 0 C-N-CA 123.554 2.836 . . . . 15.0 112.086 177.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 47.2 tp60 -62.93 -10.49 13.72 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.298 -0.864 . . . . 15.0 111.575 -178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -84.67 -11.51 55.75 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.117 -0.364 . . . . 15.0 110.847 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.481 HD23 ' HD2' ' A' ' 460' ' ' PRO . 3.0 mm? -119.32 -13.06 9.32 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.1 0.476 . . . . 15.0 110.243 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.253 -0.879 . . . . 15.0 110.239 -176.807 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.326 0.584 . . . . 15.0 110.423 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 19.0 m -125.22 111.02 14.77 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.034 0.445 . . . . 15.0 111.549 -175.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.549 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.7 OUTLIER -138.02 22.15 2.83 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.043 -1.095 . . . . 15.0 108.043 170.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 64.0 m95 -95.29 127.57 41.45 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 114.338 -1.301 . . . . 15.0 110.426 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 12.7 t -109.15 135.37 50.39 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.901 -0.778 . . . . 15.0 108.901 171.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.467 ' CD ' ' H ' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -91.83 112.61 24.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.652 0.739 . . . . 15.0 110.582 -176.212 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 32.1 tpt180 -108.83 119.38 39.39 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.378 -0.828 . . . . 15.0 110.176 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.488 ' HA ' ' HA ' ' A' ' 445' ' ' THR . 20.8 ptmt -97.31 120.05 36.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.451 0.643 . . . . 15.0 110.389 177.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 15.1 t -90.12 150.52 22.01 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.221 -0.9 . . . . 15.0 109.628 179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -58.97 -11.85 3.88 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 112.639 0.607 . . . . 15.0 112.639 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.62 -12.47 61.67 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.185 0.517 . . . . 15.0 110.629 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 95.0 26.94 11.6 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 121.007 -0.616 . . . . 15.0 111.812 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 43.9 mmtm -126.55 130.76 51.19 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.832 0.348 . . . . 15.0 110.409 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 77.9 m -103.64 109.83 21.67 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.509 -0.552 . . . . 15.0 109.509 177.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.564 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 45.2 p90 -108.89 138.63 44.92 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.215 -0.448 . . . . 15.0 109.854 -179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.412 ' CD1' ' HD3' ' A' ' 460' ' ' PRO . 88.9 m-85 -93.0 122.91 35.85 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.908 -0.587 . . . . 15.0 110.557 -176.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -109.68 117.83 34.95 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.358 -0.837 . . . . 15.0 110.803 -177.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -96.37 118.35 32.73 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.931 -0.766 . . . . 15.0 108.931 175.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -93.47 -7.6 43.94 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.152 0.501 . . . . 15.0 111.007 -176.304 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.549 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 6.6 tpp180 -84.93 -35.15 22.27 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.954 0.407 . . . . 15.0 110.841 -178.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 12.5 p -113.65 -9.74 13.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.114 -0.494 . . . . 15.0 111.148 178.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 48.8 tp 64.77 82.83 0.18 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.486 -175.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -146.19 135.17 22.56 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.262 -0.881 . . . . 15.0 110.053 -178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 13.6 p -130.81 113.11 13.68 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.935 -0.394 . . . . 15.0 109.935 178.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 9.5 t -128.79 149.88 50.54 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.473 -0.33 . . . . 15.0 110.686 -176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.564 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.3 m95 -90.28 -4.25 57.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.159 0.504 . . . . 15.0 110.4 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -98.84 139.13 34.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.891 -0.595 . . . . 15.0 110.078 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 41.0 ttmt -65.65 125.94 90.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.24 -0.436 . . . . 15.0 110.249 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 38.5 Cg_exo -61.18 143.52 98.6 Favored 'Trans proline' 0 N--CA 1.462 -0.346 0 C-N-CA 122.897 2.398 . . . . 15.0 112.21 179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -54.36 -29.13 47.33 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.57 -0.741 . . . . 15.0 111.44 178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -77.53 -9.54 58.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.91 -0.586 . . . . 15.0 111.003 -176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 96.1 mt -129.62 8.06 5.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.418 -0.356 . . . . 15.0 111.182 -176.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.498 -0.763 . . . . 15.0 110.522 -177.497 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 109.753 -0.462 . . . . 15.0 109.753 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.2 m 77.08 110.18 0.07 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.556 0.742 . . . . 15.0 111.003 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.556 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.9 OUTLIER -131.41 93.32 3.33 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.424 -0.807 . . . . 15.0 108.971 -179.222 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 93.5 m95 -133.87 109.15 8.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.09 0.471 . . . . 15.0 111.138 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 21.5 m -103.02 131.2 50.17 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.754 -0.657 . . . . 15.0 110.0 177.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -89.81 128.22 36.12 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.208 0.528 . . . . 15.0 110.112 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -120.28 113.66 20.72 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 115.813 -0.631 . . . . 15.0 109.914 176.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -103.98 107.93 19.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.969 -0.559 . . . . 15.0 109.608 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 8.9 t -89.95 150.0 22.34 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.251 -0.431 . . . . 15.0 110.562 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.08 -5.22 12.31 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.85 -0.614 . . . . 15.0 111.39 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.15 -9.92 59.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.375 0.607 . . . . 15.0 110.001 173.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 93.78 31.78 8.0 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.852 -0.613 . . . . 15.0 112.38 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -133.6 138.09 45.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.05 0.452 . . . . 15.0 110.735 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.3 m -113.69 108.11 16.68 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-N 115.607 -0.724 . . . . 15.0 109.745 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.599 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 49.3 p90 -118.52 140.99 49.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.103 0.478 . . . . 15.0 110.734 -177.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.427 ' OH ' ' HD3' ' A' ' 459' ' ' LYS . 23.7 m-85 -97.98 128.11 44.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.427 0.632 . . . . 15.0 110.84 -176.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -116.59 118.79 33.6 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.812 -1.086 . . . . 15.0 110.789 -174.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -93.27 117.71 30.4 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.589 -0.732 . . . . 15.0 109.311 175.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -97.6 -5.71 34.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.219 0.533 . . . . 15.0 110.621 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.556 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 22.5 tpt180 -78.53 -39.57 37.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.085 -0.507 . . . . 15.0 110.692 -179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 11.2 p -122.24 -4.21 8.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.218 -0.446 . . . . 15.0 111.555 178.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 65.3 80.4 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.575 0.702 . . . . 15.0 110.5 -176.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -145.2 120.07 9.95 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.078 -0.964 . . . . 15.0 109.792 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.5 t -114.57 126.53 55.03 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.906 0.384 . . . . 15.0 110.209 -178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.0 t -128.24 144.36 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.061 -0.518 . . . . 15.0 110.55 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.599 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 90.6 m95 -90.64 -4.81 56.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.202 0.525 . . . . 15.0 110.187 177.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -109.23 118.51 36.91 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.706 -0.849 . . . . 15.0 108.706 179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.783 ' HE3' ' HA ' ' A' ' 464' ' ' LYS . 32.8 ttpt -60.57 123.05 72.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.021 -0.536 . . . . 15.0 111.624 -175.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -52.46 141.77 50.42 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.975 2.45 . . . . 15.0 112.28 177.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.421 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 56.0 tp60 -58.83 -22.55 59.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.878 -0.601 . . . . 15.0 111.745 -175.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 29.8 mp0 -70.47 -19.15 62.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.31 -0.405 . . . . 15.0 111.179 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.469 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 6.1 mp -125.32 4.33 7.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.546 -0.297 . . . . 15.0 110.629 -178.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.783 ' HA ' ' HE3' ' A' ' 459' ' ' LYS . 31.8 ttmt . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.59 -0.719 . . . . 15.0 111.486 -172.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 121.176 0.512 . . . . 15.0 110.101 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.8 m -108.65 115.56 30.32 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.189 -0.46 . . . . 15.0 110.981 -174.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.642 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 5.0 tt0 -137.16 62.49 1.59 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.205 -1.035 . . . . 15.0 108.205 173.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 88.6 m95 -90.17 110.4 21.43 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.537 -0.756 . . . . 15.0 111.783 -168.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 44.1 m -92.91 113.4 25.67 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.005 -0.998 . . . . 15.0 108.907 171.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -91.64 120.83 32.75 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.056 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.458 HH11 ' HD2' ' A' ' 438' ' ' ARG . 17.1 ttp180 -133.03 144.08 49.82 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.134 0.493 . . . . 15.0 110.281 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -89.95 125.85 35.52 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.798 -0.637 . . . . 15.0 110.283 -178.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.486 HG22 ' H ' ' A' ' 442' ' ' ASP . 94.4 m -90.05 139.42 30.63 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.412 -0.813 . . . . 15.0 109.191 176.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.65 -14.89 23.34 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 112.675 0.62 . . . . 15.0 112.675 -172.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.553 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 30.8 t70 -73.24 -16.8 61.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.104 0.478 . . . . 15.0 110.61 177.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 102.54 27.86 6.6 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.807 -0.711 . . . . 15.0 111.668 -177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.553 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 66.3 mttm -121.64 135.41 54.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.859 0.361 . . . . 15.0 110.487 -179.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 3.2 m -97.48 113.63 25.35 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 116.073 -0.512 . . . . 15.0 109.718 173.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 18.5 p90 -110.65 139.23 46.12 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.735 -0.469 . . . . 15.0 109.735 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -100.33 112.57 24.92 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.76 -0.654 . . . . 15.0 109.94 -179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -103.99 116.37 32.13 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.492 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.642 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 39.8 t-20 -89.61 112.42 23.63 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.477 -0.934 . . . . 15.0 108.477 177.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -71.63 -25.43 62.15 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.411 -0.813 . . . . 15.0 112.095 -173.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.475 ' HB2' ' OE2' ' A' ' 434' ' ' GLU . 22.4 ttm180 -77.85 -35.73 50.76 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.95 -0.3 . . . . 15.0 111.356 -175.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 17.3 p -109.44 -8.26 15.06 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.895 -0.322 . . . . 15.0 111.809 -179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 8.5 mp 69.77 22.28 6.12 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.273 0.629 . . . . 15.0 110.616 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -90.41 122.11 32.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.594 -0.73 . . . . 15.0 110.796 -176.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 6.0 m -106.66 113.34 26.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.465 -0.334 . . . . 15.0 110.291 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 53.3 p -104.55 136.89 43.26 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.021 0.438 . . . . 15.0 110.626 178.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 96.5 m95 -98.88 0.69 44.67 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.317 0.58 . . . . 15.0 109.583 179.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -121.58 146.63 46.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.191 -0.913 . . . . 15.0 109.783 176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.474 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 41.4 mttm -57.53 129.02 80.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 N-CA-C 113.026 0.75 . . . . 15.0 113.026 -175.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 18.4 Cg_exo -69.01 147.64 68.12 Favored 'Trans proline' 0 C--O 1.238 0.523 0 C-N-CA 123.283 2.655 . . . . 15.0 111.573 175.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -70.85 -18.12 62.72 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.855 -0.611 . . . . 15.0 111.212 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -78.46 -8.98 59.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.351 -0.386 . . . . 15.0 110.955 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 7.4 mp -117.79 -65.21 1.2 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 15.0 110.994 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 23.9 tptm . . . . . 0 C--O 1.251 1.14 0 CA-C-O 118.306 -0.854 . . . . 15.0 110.081 -176.22 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 5.6 m . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 121.53 0.681 . . . . 15.0 110.584 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 38.3 m -99.59 101.5 12.73 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 115.819 -0.628 . . . . 15.0 111.533 -175.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.655 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 5.4 tp10 -135.08 16.88 3.47 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 107.864 -1.162 . . . . 15.0 107.864 170.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 74.6 m95 -89.89 127.95 36.11 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.793 -1.094 . . . . 15.0 110.511 -173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 24.9 p -109.97 139.94 44.52 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.606 -0.724 . . . . 15.0 109.613 175.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -99.72 124.3 44.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.216 0.531 . . . . 15.0 110.195 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -122.56 112.49 18.07 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-N 116.201 -0.454 . . . . 15.0 110.339 177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -90.12 111.9 23.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.736 -0.666 . . . . 15.0 109.424 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.432 HG22 ' O ' ' A' ' 444' ' ' LYS . 13.5 t -102.15 150.02 23.69 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.48 -0.327 . . . . 15.0 110.163 -178.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -70.65 3.36 3.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.03 0.443 . . . . 15.0 111.739 -176.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -77.51 -4.15 44.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.513 0.673 . . . . 15.0 109.359 173.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 89.99 31.87 10.51 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.387 -0.824 . . . . 15.0 112.338 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.432 ' O ' HG22 ' A' ' 440' ' ' THR . 77.0 mttt -144.85 138.31 26.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.309 0.576 . . . . 15.0 111.293 -174.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 37.0 m -113.19 101.72 9.69 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.392 -0.822 . . . . 15.0 109.391 175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.472 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 49.9 p90 -101.43 142.91 32.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.966 0.412 . . . . 15.0 110.606 -176.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -100.78 123.23 44.68 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 15.0 110.422 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.641 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 81.7 t80 -111.07 120.71 43.25 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.744 -0.662 . . . . 15.0 110.657 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.52 ' OD1' ' HB3' ' A' ' 434' ' ' GLU . 42.8 t-20 -89.82 114.97 26.78 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.158 -0.682 . . . . 15.0 109.158 177.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -74.13 -19.85 60.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.092 -0.504 . . . . 15.0 111.637 -175.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.655 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 17.2 ttm180 -88.66 -30.15 19.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.702 0.287 . . . . 15.0 111.476 -173.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 31.1 p -113.66 -1.16 14.09 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.951 -0.3 . . . . 15.0 111.173 176.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.8 mp 64.81 22.44 12.53 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.758 -0.655 . . . . 15.0 111.11 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -92.76 111.49 23.12 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.192 -0.458 . . . . 15.0 111.4 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.641 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 7.2 p -101.06 120.68 40.55 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.01 -0.541 . . . . 15.0 109.897 175.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 7.1 t -129.44 150.21 50.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.279 0.561 . . . . 15.0 111.447 -177.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.472 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.6 m95 -90.1 1.53 56.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.409 -0.814 . . . . 15.0 109.826 178.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -107.21 135.68 48.32 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.601 -0.727 . . . . 15.0 109.866 -179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 37.5 ttpt -72.15 119.99 77.8 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.914 0.387 . . . . 15.0 110.616 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 22.7 Cg_exo -67.01 152.9 79.47 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 123.485 2.79 . . . . 15.0 111.904 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.71 -15.36 52.48 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.569 . . . . 15.0 111.52 -178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.74 -21.91 65.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.015 0.436 . . . . 15.0 110.532 177.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.422 ' O ' ' HD2' ' A' ' 459' ' ' LYS . 3.3 mm? -123.57 24.95 8.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.758 -0.655 . . . . 15.0 109.666 179.181 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? . . . . . 0 C--O 1.248 1.012 0 CA-C-N 115.089 -0.959 . . . . 15.0 112.317 -175.198 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.801 0.334 . . . . 15.0 110.105 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 17.7 p -74.74 108.17 7.31 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.122 -0.695 . . . . 15.0 109.122 172.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.976 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 1.2 mp0 -77.38 12.41 1.55 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.651 -0.249 . . . . 15.0 111.251 -175.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.434 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 81.6 m95 -89.65 110.1 21.01 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.372 -0.377 . . . . 15.0 110.484 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.1 m -104.46 110.3 22.52 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 109.479 -0.563 . . . . 15.0 109.479 175.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.552 ' HB3' ' CD2' ' A' ' 447' ' ' TYR . 1.8 pp20? -90.32 149.26 22.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.389 0.614 . . . . 15.0 110.641 -178.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.462 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 61.5 ttt180 -139.22 120.17 14.46 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.34 -0.845 . . . . 15.0 110.135 -177.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.475 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 41.2 mttp -89.94 108.8 19.93 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.634 -0.712 . . . . 15.0 109.898 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.9 t -94.18 150.34 20.4 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.442 -0.344 . . . . 15.0 110.204 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -63.53 -5.05 3.31 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.991 -0.55 . . . . 15.0 111.961 -177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.75 -5.84 36.93 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.43 0.633 . . . . 15.0 110.16 174.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 87.49 30.73 18.11 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.846 -0.693 . . . . 15.0 112.058 177.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.461 ' O ' HG22 ' A' ' 440' ' ' THR . 60.7 mttp -143.05 140.06 30.79 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.647 0.26 . . . . 15.0 110.305 -179.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.475 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 9.9 t -110.23 129.78 55.66 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 108.768 -0.827 . . . . 15.0 108.768 168.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.581 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 41.1 p90 -116.54 130.89 57.0 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.22 0.533 . . . . 15.0 110.061 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.552 ' CD2' ' HB3' ' A' ' 437' ' ' GLU . 37.2 m-85 -89.94 106.14 18.28 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.331 -0.85 . . . . 15.0 109.313 -177.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -101.92 114.33 28.33 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.948 -0.569 . . . . 15.0 110.194 -176.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.434 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 21.6 t-20 -90.24 115.6 27.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.895 -0.593 . . . . 15.0 109.651 -179.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -81.05 -0.69 40.9 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.223 -0.444 . . . . 15.0 111.562 -176.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.976 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 69.0 ttt180 -95.38 -44.18 7.68 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.658 0.266 . . . . 15.0 111.045 -177.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 14.2 p -108.17 2.15 22.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.707 0.289 . . . . 15.0 111.332 177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.6 mp 62.47 29.89 17.16 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.021 -0.536 . . . . 15.0 111.025 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.46 128.64 38.38 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.985 -0.552 . . . . 15.0 111.362 -176.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.6 t -100.85 106.43 17.8 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.231 -0.655 . . . . 15.0 109.231 172.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 63.4 m -113.97 127.34 55.92 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.173 -0.922 . . . . 15.0 110.541 -174.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.581 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 93.5 m95 -97.44 -2.39 42.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.381 -0.372 . . . . 15.0 111.458 -174.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -109.17 152.17 25.49 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.097 -0.502 . . . . 15.0 110.282 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 24.2 tptm -66.83 116.46 35.4 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.273 -0.421 . . . . 15.0 111.267 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_exo -61.46 143.18 97.25 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 123.131 2.554 . . . . 15.0 112.01 178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -74.56 -14.98 60.86 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.113 -0.494 . . . . 15.0 110.987 -174.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -70.21 -16.66 63.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.96 0.409 . . . . 15.0 110.331 174.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -108.55 -49.59 3.15 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.821 -0.437 . . . . 15.0 109.821 176.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 64.2 tttp . . . . . 0 C--O 1.251 1.137 0 CA-C-N 115.389 -0.823 . . . . 15.0 111.14 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 32.3 m . . . . . 0 N--CA 1.483 1.185 0 N-CA-C 110.268 -0.271 . . . . 15.0 110.268 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 6.0 p -78.0 115.41 17.72 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 120.976 0.417 . . . . 15.0 110.225 177.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.784 ' HG3' ' HB2' ' A' ' 451' ' ' ARG . 0.4 OUTLIER -96.05 12.7 29.65 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.407 0.623 . . . . 15.0 109.754 -177.348 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -89.8 120.19 30.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.46 -0.791 . . . . 15.0 110.508 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 9.2 p -105.01 124.04 48.85 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.989 -0.374 . . . . 15.0 109.989 173.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -89.99 109.89 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.6 -0.519 . . . . 15.0 109.6 179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -116.81 116.01 26.65 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.271 0.558 . . . . 15.0 110.454 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.551 ' HG2' HG23 ' A' ' 445' ' ' THR . 85.8 mttt -91.78 116.34 28.81 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.263 -0.88 . . . . 15.0 109.507 179.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 444' ' ' LYS . 10.2 t -89.63 146.73 24.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.346 -0.388 . . . . 15.0 110.429 -175.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.82 -11.55 13.15 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.8 0.687 . . . . 15.0 112.033 -174.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -63.66 -21.47 66.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.184 0.516 . . . . 15.0 110.181 173.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 103.86 20.39 10.74 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.775 -0.648 . . . . 15.0 111.839 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.444 ' O ' HG22 ' A' ' 440' ' ' THR . 29.6 mtmm -121.27 141.69 50.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.399 0.619 . . . . 15.0 111.177 -177.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.551 HG23 ' HG2' ' A' ' 439' ' ' LYS . 20.9 m -112.55 105.23 13.39 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.2 -0.909 . . . . 15.0 109.692 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.544 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 54.2 p90 -112.94 142.53 45.51 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.334 0.587 . . . . 15.0 110.542 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.495 ' O ' ' HA ' ' A' ' 455' ' ' SER . 79.5 m-85 -103.49 114.85 29.44 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.229 -0.896 . . . . 15.0 110.535 -175.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 81.5 t80 -107.31 119.6 39.85 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 116.159 -0.473 . . . . 15.0 110.576 -178.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -89.85 115.08 26.91 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.219 -1.03 . . . . 15.0 108.219 173.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -77.64 -12.6 59.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.5 -0.773 . . . . 15.0 111.232 -174.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.784 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 4.5 tpp180 -95.44 -21.56 18.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.443 -0.344 . . . . 15.0 111.435 -175.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 24.5 p -121.87 -2.03 9.32 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.76 0.314 . . . . 15.0 111.166 176.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 7.2 mp 63.54 28.21 15.2 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.759 -0.655 . . . . 15.0 111.581 175.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -110.67 136.39 49.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.882 0.372 . . . . 15.0 110.502 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' A' ' 447' ' ' TYR . 13.8 t -117.72 120.1 36.94 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.844 0.354 . . . . 15.0 110.547 -179.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.479 ' HB ' ' OE2' ' A' ' 458' ' ' GLU . 62.2 p -106.23 148.36 28.03 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.213 -0.449 . . . . 15.0 109.949 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.544 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 94.6 m95 -98.34 4.56 48.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.343 0.592 . . . . 15.0 110.601 179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.479 ' OE2' ' HB ' ' A' ' 456' ' ' THR . 0.0 OUTLIER -118.85 153.22 34.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.671 -0.695 . . . . 15.0 109.703 174.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.464 ' HG3' ' CZ ' ' A' ' 447' ' ' TYR . 25.0 tttp -75.2 118.2 68.78 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.447 -0.342 . . . . 15.0 111.035 -174.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 36.6 Cg_exo -60.16 140.16 90.9 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 123.082 2.521 . . . . 15.0 111.309 177.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.874 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 61.4 tt0 -66.19 -18.98 65.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.946 0.403 . . . . 15.0 111.046 -177.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -68.93 -16.48 63.76 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.216 -0.447 . . . . 15.0 110.558 176.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -122.81 10.83 9.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.025 -0.534 . . . . 15.0 109.948 178.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.874 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 12.1 tmtt? . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.531 -0.759 . . . . 15.0 109.918 -175.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . 0.43 ' O ' ' HB3' ' A' ' 433' ' ' SER . 20.6 m . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.224 -0.288 . . . . 15.0 110.224 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . 0.43 ' HB3' ' O ' ' A' ' 432' ' ' VAL . 46.9 t 75.09 100.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 O-C-N 124.372 1.045 . . . . 15.0 109.41 -175.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.746 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 10.1 tp10 -112.82 6.27 17.91 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.702 -0.681 . . . . 15.0 110.896 -173.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.54 ' HB2' HD13 ' A' ' 463' ' ' LEU . 95.0 m95 -93.46 111.27 22.9 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.264 -0.426 . . . . 15.0 110.347 178.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 10.5 t -103.99 128.85 51.56 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.566 -0.531 . . . . 15.0 109.566 176.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.608 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 10.7 pt-20 -98.53 122.78 42.16 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.094 0.474 . . . . 15.0 110.464 -178.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -125.69 148.25 49.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.741 -0.663 . . . . 15.0 110.433 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -89.86 119.27 30.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.03 -0.532 . . . . 15.0 110.813 -178.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 79.0 m -89.99 142.22 27.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.182 -0.673 . . . . 15.0 109.182 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.91 10.06 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.65 0.611 . . . . 15.0 112.65 -173.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.534 ' OD2' ' HE2' ' A' ' 444' ' ' LYS . 33.7 t70 -74.76 -10.62 59.69 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.283 0.563 . . . . 15.0 110.455 176.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 97.02 26.08 10.67 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.868 -0.605 . . . . 15.0 112.381 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.534 ' HE2' ' OD2' ' A' ' 442' ' ' ASP . 64.1 mttm -126.7 140.75 52.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.715 0.293 . . . . 15.0 110.51 -177.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 1.4 m -101.34 109.22 21.03 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.66 -0.496 . . . . 15.0 109.66 177.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.408 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 13.5 p90 -104.78 144.97 31.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.98 0.419 . . . . 15.0 111.035 -175.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.608 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 72.8 m-85 -99.91 118.7 36.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.918 -0.583 . . . . 15.0 110.697 -179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -104.09 118.95 37.88 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.33 -0.85 . . . . 15.0 110.378 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.753 ' OD1' ' HG2' ' A' ' 451' ' ' ARG . 24.2 t-20 -99.84 125.77 45.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.474 -0.33 . . . . 15.0 110.508 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.598 ' H ' ' HG3' ' A' ' 434' ' ' GLU . 0.2 OUTLIER -96.12 -9.32 31.01 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.552 -0.295 . . . . 15.0 111.439 -175.638 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.753 ' HG2' ' OD1' ' A' ' 449' ' ' ASN . 18.5 ptt180 -82.21 -25.77 33.9 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.417 -0.513 . . . . 15.0 110.201 -177.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' ' 453' ' ' LEU . 17.8 p -127.16 -7.79 5.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.219 -0.446 . . . . 15.0 111.488 177.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 452' ' ' THR . 4.0 mm? 71.54 30.81 2.38 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.475 0.655 . . . . 15.0 110.088 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -106.52 130.65 54.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.041 -0.981 . . . . 15.0 109.196 -176.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.7 t -124.44 122.95 39.06 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.011 0.434 . . . . 15.0 110.233 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.404 HG22 ' CZ3' ' A' ' 435' ' ' TRP . 9.5 t -122.4 149.96 43.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.121 -0.49 . . . . 15.0 110.815 -178.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.408 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 84.4 m95 -88.35 -2.41 58.59 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.89 -0.595 . . . . 15.0 109.899 177.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.84 145.38 24.65 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.548 -0.751 . . . . 15.0 110.148 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -78.18 113.36 32.87 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.337 -0.392 . . . . 15.0 109.953 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.13 142.99 52.31 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.993 2.462 . . . . 15.0 112.216 -177.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.557 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 62.9 tt0 -69.46 -10.27 57.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.163 0.506 . . . . 15.0 110.965 -178.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.404 ' C ' HD12 ' A' ' 463' ' ' LEU . 48.2 mt-10 -72.96 -21.86 60.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.166 0.507 . . . . 15.0 110.342 175.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 435' ' ' TRP . 7.0 mp -132.66 28.42 4.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.575 -0.739 . . . . 15.0 109.839 -179.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.557 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.157 0 CA-C-O 118.42 -0.8 . . . . 15.0 110.528 -177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.819 -0.438 . . . . 15.0 109.819 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 31.5 t 55.87 87.89 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 109.147 -0.686 . . . . 15.0 109.147 -170.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.578 ' HG2' ' HB2' ' A' ' 451' ' ' ARG . 0.6 OUTLIER -82.67 15.7 2.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.941 -0.572 . . . . 15.0 111.53 -169.04 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.528 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 86.4 m95 -89.93 111.4 22.45 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.871 0.367 . . . . 15.0 110.202 178.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 31.5 m -93.01 125.21 37.49 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.52 -0.548 . . . . 15.0 109.52 174.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -90.08 110.32 21.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.311 0.577 . . . . 15.0 110.587 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 28.1 tpt180 -113.98 114.94 26.86 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.348 -0.842 . . . . 15.0 110.267 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 59.2 mttp -91.02 116.0 28.45 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.266 -0.642 . . . . 15.0 109.266 173.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 444' ' ' LYS . 15.0 t -89.76 149.29 22.78 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.354 -0.385 . . . . 15.0 110.178 -177.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -64.9 -3.45 3.45 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.928 -0.578 . . . . 15.0 112.228 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -75.46 -15.48 60.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.605 0.716 . . . . 15.0 109.932 174.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 96.2 31.92 6.99 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.893 -0.67 . . . . 15.0 111.923 -178.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.474 ' O ' HG22 ' A' ' 440' ' ' THR . 43.0 mttp -133.4 139.93 47.05 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.858 0.361 . . . . 15.0 110.573 -178.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 21.5 m -108.07 116.44 31.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.157 -0.474 . . . . 15.0 110.026 179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 53.7 p90 -120.88 138.92 53.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.316 0.579 . . . . 15.0 110.96 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.474 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 78.1 m-85 -98.33 114.27 26.52 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.257 -0.883 . . . . 15.0 110.447 179.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -101.76 116.31 32.44 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.923 -0.58 . . . . 15.0 109.992 178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.528 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 23.4 t-20 -89.91 117.46 28.74 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.174 -0.466 . . . . 15.0 109.773 179.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -10.5 59.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.994 0.426 . . . . 15.0 110.792 -176.262 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.578 ' HB2' ' HG2' ' A' ' 434' ' ' GLU . 32.9 ttm180 -86.43 -29.09 23.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.396 -0.365 . . . . 15.0 111.001 -176.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 41.2 p -120.56 -7.81 9.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.449 -0.342 . . . . 15.0 111.471 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 78.9 mt 68.73 26.16 6.2 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.903 -0.59 . . . . 15.0 110.535 -179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -95.3 136.74 35.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.574 -0.739 . . . . 15.0 111.118 -175.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -110.38 121.53 45.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.35 -0.611 . . . . 15.0 109.35 177.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 40.8 p -122.47 145.11 48.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.811 0.339 . . . . 15.0 111.639 -175.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 92.9 m95 -96.6 12.53 31.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.148 0.499 . . . . 15.0 109.814 174.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -120.89 142.43 49.69 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.619 -0.718 . . . . 15.0 110.474 -176.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.474 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 40.1 ttmt -78.97 116.99 64.22 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-O 120.793 0.33 . . . . 15.0 110.934 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 17.2 Cg_exo -68.11 151.79 76.94 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.233 2.622 . . . . 15.0 111.627 177.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 464' ' ' LYS . 13.3 tt0 -64.09 -16.61 62.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 15.0 111.376 -176.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -74.91 -16.69 60.65 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.058 0.456 . . . . 15.0 110.792 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -119.68 13.59 12.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.007 0.432 . . . . 15.0 109.967 -179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 461' ' ' GLN . 17.5 tptm . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.479 -0.772 . . . . 15.0 110.502 -174.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 121.02 0.438 . . . . 15.0 110.696 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 16.8 m -91.83 101.54 14.13 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.288 -0.415 . . . . 15.0 109.921 177.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 4.2 mt-10 -103.93 36.05 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.397 -0.365 . . . . 15.0 111.151 -175.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.474 ' CE3' ' HB2' ' A' ' 449' ' ' ASN . 94.0 m95 -90.05 117.25 28.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.117 -0.492 . . . . 15.0 109.942 178.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.4 m -115.96 138.71 50.95 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.246 -0.434 . . . . 15.0 110.234 179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -90.06 118.14 29.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.412 -0.358 . . . . 15.0 110.585 -174.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 28.5 ttt180 -123.06 122.94 39.73 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.29 0.567 . . . . 15.0 110.854 -178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.487 ' HG2' HG23 ' A' ' 445' ' ' THR . 51.2 mtpt -99.82 120.71 40.18 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.594 -0.73 . . . . 15.0 109.811 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 444' ' ' LYS . 14.9 t -98.3 150.18 21.82 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.931 -0.308 . . . . 15.0 110.511 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -67.6 -14.65 63.12 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.054 -0.521 . . . . 15.0 111.363 -174.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -61.27 -21.74 64.19 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.196 0.522 . . . . 15.0 110.142 175.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 106.26 32.66 3.65 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.769 -0.65 . . . . 15.0 111.91 178.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.404 ' O ' HG22 ' A' ' 440' ' ' THR . 65.1 mttm -135.52 136.52 41.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.182 0.515 . . . . 15.0 111.007 -178.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.487 HG23 ' HG2' ' A' ' 439' ' ' LYS . 24.4 m -108.87 108.94 19.9 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.506 -0.77 . . . . 15.0 109.695 177.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.467 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 53.2 p90 -121.83 149.99 42.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.133 0.492 . . . . 15.0 111.101 -175.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.464 ' HB2' ' CG2' ' A' ' 456' ' ' THR . 75.4 m-85 -101.71 118.0 36.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.436 -0.802 . . . . 15.0 110.199 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -101.93 119.58 39.02 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.77 -0.65 . . . . 15.0 110.309 -178.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.474 ' HB2' ' CE3' ' A' ' 435' ' ' TRP . 20.9 t-20 -90.04 113.86 25.64 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 108.857 -0.794 . . . . 15.0 108.857 174.167 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -77.93 -10.81 59.76 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.264 0.554 . . . . 15.0 111.037 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 18.2 tpt180 -85.94 -28.61 24.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.276 -0.42 . . . . 15.0 111.053 -177.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 31.8 p -123.14 -2.64 8.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.835 0.309 . . . . 15.0 111.835 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.2 mp 66.86 23.64 9.93 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 122.872 0.469 . . . . 15.0 110.974 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -96.51 127.83 42.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.181 -0.463 . . . . 15.0 111.514 -175.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 18.9 m -104.38 122.43 45.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.092 -0.504 . . . . 15.0 110.231 176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.464 ' CG2' ' HB2' ' A' ' 447' ' ' TYR . 9.9 t -113.47 146.16 40.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.356 -0.384 . . . . 15.0 110.053 178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.467 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.4 m95 -98.76 -1.47 40.4 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.296 0.57 . . . . 15.0 110.097 -175.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -122.32 156.39 33.98 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.308 -0.86 . . . . 15.0 109.804 -179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.434 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 69.0 mttm -67.9 118.79 61.52 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 116.38 -0.373 . . . . 15.0 111.398 -178.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.711 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 24.7 Cg_endo -62.01 153.52 68.27 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 123.171 2.581 . . . . 15.0 111.613 176.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 58.1 tp60 -57.95 -31.1 66.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.829 -0.623 . . . . 15.0 112.29 -174.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.517 ' OE1' ' HB2' ' A' ' 460' ' ' PRO . 1.4 pm0 -85.96 -4.3 59.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 111.918 0.34 . . . . 15.0 111.918 -177.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.711 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 10.7 mp -116.99 4.89 12.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 15.0 110.563 176.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.615 -0.707 . . . . 15.0 110.068 -177.674 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 43.3 t . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.488 -0.56 . . . . 15.0 109.488 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 48.9 m 55.1 86.13 0.06 Allowed 'General case' 0 C--O 1.232 0.164 0 O-C-N 123.819 0.7 . . . . 15.0 109.651 -170.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.5 OUTLIER -82.98 17.58 1.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.444 -0.798 . . . . 15.0 111.23 -168.124 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.447 ' HE3' ' HB3' ' A' ' 447' ' ' TYR . 99.4 m95 -90.63 117.98 29.71 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.16 -0.473 . . . . 15.0 110.823 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 3.8 t -124.04 123.79 41.13 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.773 -0.454 . . . . 15.0 109.773 173.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 447' ' ' TYR . 11.4 pt-20 -89.86 128.36 36.17 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.738 0.78 . . . . 15.0 110.127 179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.549 ' HD3' ' OH ' ' A' ' 446' ' ' TYR . 59.1 ttt180 -110.48 117.07 32.57 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 114.921 -1.036 . . . . 15.0 109.529 179.292 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.525 ' HG2' ' HB ' ' A' ' 445' ' ' THR . 42.8 mtmt -91.93 116.12 28.64 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.852 -0.613 . . . . 15.0 110.541 -175.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 14.8 t -96.27 150.4 20.59 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.611 -0.722 . . . . 15.0 109.769 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -69.5 7.07 0.89 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.142 0.423 . . . . 15.0 112.142 -175.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -78.38 -6.66 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.566 0.698 . . . . 15.0 109.176 171.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 90.9 28.05 17.04 Favored Glycine 0 C--N 1.333 0.379 0 CA-C-N 115.298 -0.864 . . . . 15.0 112.171 177.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -142.51 141.19 32.05 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.904 0.383 . . . . 15.0 110.615 -175.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.525 ' HB ' ' HG2' ' A' ' 439' ' ' LYS . 8.9 t -111.41 137.45 49.17 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.937 -0.574 . . . . 15.0 109.758 176.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.642 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 37.1 p90 -127.19 139.36 52.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.962 0.411 . . . . 15.0 110.316 -179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.546 ' CE2' ' HB3' ' A' ' 437' ' ' GLU . 81.2 m-85 -91.58 118.99 31.1 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.959 -177.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . 0.489 ' HD1' ' HB3' ' A' ' 455' ' ' SER . 74.3 t80 -107.31 119.06 38.36 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.572 -0.74 . . . . 15.0 109.966 178.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 23.0 t-20 -104.55 117.62 34.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.953 -0.567 . . . . 15.0 109.643 177.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -86.11 -4.28 59.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.766 0.284 . . . . 15.0 111.766 -177.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -82.96 -44.52 15.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.05 0.453 . . . . 15.0 110.686 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 36.0 p -110.28 -1.42 17.28 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 15.0 111.347 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 453' ' ' LEU . 4.1 mm? 66.78 25.41 9.66 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.868 -0.605 . . . . 15.0 110.538 178.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -89.94 118.0 29.18 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.737 -0.665 . . . . 15.0 111.067 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.489 ' HB3' ' HD1' ' A' ' 448' ' ' TYR . 11.6 p -111.26 114.21 27.24 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.136 -0.69 . . . . 15.0 109.136 173.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.9 t -137.41 150.22 47.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.107 0.48 . . . . 15.0 110.989 -174.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.642 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 89.4 m95 -87.1 -1.54 57.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.989 -0.551 . . . . 15.0 109.625 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -83.81 134.67 34.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.428 -0.805 . . . . 15.0 110.525 178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.768 ' HD3' ' HA ' ' A' ' 464' ' ' LYS . 2.6 ttmp? -78.1 115.06 47.66 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 109.779 -0.452 . . . . 15.0 109.779 175.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.45 ' HG2' ' HB2' ' A' ' 463' ' ' LEU . 35.8 Cg_endo -64.45 151.96 83.48 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 123.257 2.638 . . . . 15.0 112.655 -176.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -60.87 -21.25 63.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.727 -0.67 . . . . 15.0 110.836 -179.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.447 ' C ' HD12 ' A' ' 463' ' ' LEU . 11.7 tp10 -80.71 -16.03 54.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.903 -0.589 . . . . 15.0 111.398 -177.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.45 ' HB2' ' HG2' ' A' ' 460' ' ' PRO . 7.3 mp -131.67 17.95 4.75 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.481 -0.327 . . . . 15.0 110.929 -177.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.768 ' HA ' ' HD3' ' A' ' 459' ' ' LYS . 2.5 ttpm? . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.065 -0.969 . . . . 15.0 110.767 -176.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 44.8 t . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.768 -0.456 . . . . 15.0 109.768 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 47.1 m -149.37 123.46 9.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.031 0.443 . . . . 15.0 111.458 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 1.027 ' HG3' ' HB3' ' A' ' 451' ' ' ARG . 27.0 tt0 -116.32 -30.32 5.96 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.776 -0.647 . . . . 15.0 110.627 172.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -116.23 118.05 31.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.009 0.433 . . . . 15.0 111.055 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 19.8 p -133.78 128.32 34.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.878 -0.601 . . . . 15.0 110.231 177.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -90.05 131.47 35.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.084 0.469 . . . . 15.0 110.515 -177.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -129.92 120.64 25.19 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.292 0.568 . . . . 15.0 110.645 175.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.414 ' HA ' ' HA ' ' A' ' 445' ' ' THR . 54.4 tttp -89.83 108.29 19.61 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.347 -0.842 . . . . 15.0 108.744 176.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 444' ' ' LYS . 14.9 t -89.99 150.16 22.25 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.21 -0.45 . . . . 15.0 110.748 -173.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -60.47 -12.66 10.27 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.691 -0.686 . . . . 15.0 111.994 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -68.24 -9.78 49.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.289 0.566 . . . . 15.0 110.64 175.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 94.34 25.98 14.96 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.953 -0.641 . . . . 15.0 112.425 176.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 440' ' ' THR . 59.3 mttp -136.75 139.08 41.6 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.947 0.403 . . . . 15.0 110.715 -176.43 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.414 ' HA ' ' HA ' ' A' ' 439' ' ' LYS . 11.8 m -106.44 104.12 13.74 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.078 -0.51 . . . . 15.0 109.743 177.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . . . . . . . . . 15.3 p90 -116.17 150.1 38.0 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.918 0.389 . . . . 15.0 110.441 -176.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -97.32 117.55 31.79 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.3 0.572 . . . . 15.0 110.659 -177.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -90.33 125.81 35.65 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.401 -0.818 . . . . 15.0 109.987 179.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.701 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 19.3 t-20 -89.81 117.61 28.78 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.795 -0.639 . . . . 15.0 109.589 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -94.5 -17.97 21.91 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 112.54 0.57 . . . . 15.0 112.54 -169.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 1.027 ' HB3' ' HG3' ' A' ' 434' ' ' GLU . 38.5 ttm180 -92.81 -50.49 5.54 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.146 -0.622 . . . . 15.0 111.935 -176.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.84 1.69 43.23 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.164 0.431 . . . . 15.0 112.164 -177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 96.5 mt 62.05 89.89 0.08 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.654 0.74 . . . . 15.0 111.554 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -149.89 148.94 29.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.415 -0.811 . . . . 15.0 109.883 178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 3.2 p -125.74 102.43 7.32 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.077 0.465 . . . . 15.0 109.828 175.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 6.9 t -106.12 142.28 36.07 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.977 -0.556 . . . . 15.0 110.099 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . . . . . . . . . 92.7 m95 -107.28 -17.63 14.09 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.308 0.575 . . . . 15.0 110.181 -178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -92.47 153.46 19.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.4 -0.818 . . . . 15.0 110.053 177.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.506 ' HE2' ' HB3' ' A' ' 463' ' ' LEU . 18.8 tptm -67.71 117.41 47.6 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.241 -0.436 . . . . 15.0 111.244 -177.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.531 ' HB2' HD23 ' A' ' 463' ' ' LEU . 25.0 Cg_exo -63.7 145.26 90.98 Favored 'Trans proline' 0 C--O 1.237 0.428 0 C-N-CA 123.002 2.468 . . . . 15.0 111.912 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.91 -41.55 67.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.498 -0.774 . . . . 15.0 110.667 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.24 -21.53 66.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.083 -0.508 . . . . 15.0 111.998 -177.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.531 HD23 ' HB2' ' A' ' 460' ' ' PRO . 3.6 mm? -94.34 -52.89 4.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.997 -0.372 . . . . 15.0 109.997 178.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 14.5 tppt? . . . . . 0 C--O 1.249 1.07 0 CA-C-N 115.348 -0.842 . . . . 15.0 110.96 179.636 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.48 1.054 0 N-CA-C 110.003 -0.369 . . . . 15.0 110.003 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 14.9 m 50.87 80.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.198 0 O-C-N 123.701 0.626 . . . . 15.0 109.735 -171.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.526 ' O ' ' HA ' ' A' ' 449' ' ' ASN . 0.5 OUTLIER -78.65 34.49 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.397 -0.819 . . . . 15.0 112.312 -167.236 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . . . . . . . . . 82.8 m95 -92.08 109.84 21.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.797 0.332 . . . . 15.0 111.163 -177.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 11.9 t -94.88 140.03 30.5 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.917 -0.401 . . . . 15.0 109.917 175.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.519 ' CD ' ' H ' ' A' ' 437' ' ' GLU . 0.3 OUTLIER -94.31 118.05 31.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.176 0.512 . . . . 15.0 110.514 -178.706 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 438' ' ' ARG . 9.8 tpt180 -119.03 129.58 55.2 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.014 0.435 . . . . 15.0 110.67 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -89.65 122.08 32.44 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.834 -0.621 . . . . 15.0 109.978 178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.462 HG22 ' H ' ' A' ' 442' ' ' ASP . 23.4 m -107.15 132.35 53.12 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.507 -0.769 . . . . 15.0 109.83 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.44 -4.67 6.07 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.377 -0.374 . . . . 15.0 111.931 -175.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . 0.462 ' H ' HG22 ' A' ' 440' ' ' THR . 18.7 t70 -69.77 -17.64 63.44 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.426 0.632 . . . . 15.0 110.314 173.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 106.31 16.95 13.32 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.846 -0.693 . . . . 15.0 112.045 -179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.499 ' HD2' ' CE3' ' A' ' 457' ' ' TRP . 20.9 mttp -124.83 150.11 46.74 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.783 0.325 . . . . 15.0 110.269 -179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.3 m -114.06 97.71 6.53 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.769 -0.826 . . . . 15.0 108.769 172.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.646 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 19.6 p90 -89.97 134.14 34.4 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.455 0.645 . . . . 15.0 110.218 -173.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.443 ' OH ' ' HE2' ' A' ' 459' ' ' LYS . 98.1 m-85 -99.85 116.2 31.36 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.265 -0.88 . . . . 15.0 109.916 -179.096 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -104.06 124.95 49.97 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.508 -0.769 . . . . 15.0 110.033 -177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 434' ' ' GLU . 24.1 t-20 -89.94 114.84 26.73 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.434 -0.58 . . . . 15.0 109.434 177.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -78.16 -0.3 27.79 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.545 0.572 . . . . 15.0 112.545 -174.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . . . . . . . . . 31.8 ttm180 -98.25 -47.38 5.47 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.785 -0.366 . . . . 15.0 110.994 -179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 44.7 p -103.98 0.89 30.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.588 -0.278 . . . . 15.0 111.411 -178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 10.0 mp 62.12 36.07 15.38 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.021 -0.536 . . . . 15.0 110.187 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -89.92 140.31 29.74 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.232 -176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -127.78 122.07 31.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.488 -0.324 . . . . 15.0 110.226 -177.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 5.0 t -136.33 138.43 41.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.769 0.318 . . . . 15.0 110.897 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.646 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 89.9 m95 -89.78 -5.41 56.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.24 0.543 . . . . 15.0 109.816 178.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.73 137.26 51.3 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.413 -0.812 . . . . 15.0 110.118 -179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.443 ' HE2' ' OH ' ' A' ' 447' ' ' TYR . 37.4 ttmt -58.46 122.52 60.73 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 115.882 -0.599 . . . . 15.0 112.099 -177.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 459' ' ' LYS . 15.3 Cg_exo -68.78 160.5 49.35 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.448 2.765 . . . . 15.0 112.207 178.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . 0.404 ' HB3' HE21 ' A' ' 461' ' ' GLN . 3.3 tt0 -56.85 -27.72 60.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.997 -1.002 . . . . 15.0 111.163 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -70.11 -13.94 62.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.835 -0.62 . . . . 15.0 111.396 -174.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . . . . . . . . . 6.1 mp -124.83 12.05 8.44 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.014 0.435 . . . . 15.0 110.028 178.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 464' ' ' LYS . 11.3 ttpp . . . . . 0 C--O 1.248 1.025 0 CA-C-N 115.488 -0.778 . . . . 15.0 110.788 -177.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 27.6 m . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.67 0.272 . . . . 15.0 110.271 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 30.4 p -166.93 103.69 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.288 -0.414 . . . . 15.0 110.44 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.603 ' HG2' ' HB3' ' A' ' 451' ' ' ARG . 5.1 tp10 -96.27 16.57 17.95 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.49 0.662 . . . . 15.0 109.627 179.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 93.2 m95 -92.01 126.65 37.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.181 -0.918 . . . . 15.0 110.412 179.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 17.7 p -103.35 123.75 47.4 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.9 -0.408 . . . . 15.0 109.9 172.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -89.81 116.87 28.23 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.864 0.364 . . . . 15.0 110.741 -178.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -119.18 108.06 14.21 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.133 0.492 . . . . 15.0 110.33 176.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . 0.407 ' HB2' ' NZ ' ' A' ' 439' ' ' LYS . 5.0 ttmp? -96.92 112.79 24.39 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.641 -0.709 . . . . 15.0 109.593 177.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . . . . . . . . . 3.7 t -101.47 149.92 23.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.825 0.345 . . . . 15.0 111.085 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -62.88 -5.98 3.36 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 115.839 -0.619 . . . . 15.0 111.581 179.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -65.0 -14.91 61.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.386 0.612 . . . . 15.0 109.889 172.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 97.44 19.28 25.88 Favored Glycine 0 N--CA 1.447 -0.573 0 CA-C-N 115.686 -0.688 . . . . 15.0 111.676 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -129.85 143.74 50.96 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.815 0.34 . . . . 15.0 110.583 -173.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.7 m -121.27 102.46 8.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.438 -0.579 . . . . 15.0 109.438 176.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.588 ' HB3' ' CZ3' ' A' ' 457' ' ' TRP . 21.0 p90 -110.38 132.61 54.02 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.551 0.691 . . . . 15.0 110.842 -176.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . 0.418 ' CE2' HD22 ' A' ' 463' ' ' LEU . 85.7 m-85 -91.69 120.89 32.85 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 114.634 -1.167 . . . . 15.0 110.146 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -98.95 118.31 35.44 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.084 -0.507 . . . . 15.0 110.009 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.729 ' OD1' ' HG3' ' A' ' 451' ' ' ARG . 26.4 t-20 -89.96 122.33 32.89 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.0 -0.545 . . . . 15.0 110.394 -179.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.519 ' HB2' ' HG3' ' A' ' 434' ' ' GLU . 20.1 m120 -92.21 -13.38 30.62 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.76 0.652 . . . . 15.0 112.76 -175.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.729 ' HG3' ' OD1' ' A' ' 449' ' ' ASN . 0.2 OUTLIER -77.82 -13.28 59.94 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.233 -0.587 . . . . 15.0 110.306 -175.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . 0.543 HG23 ' HD3' ' A' ' 451' ' ' ARG . 10.7 p -142.26 -88.72 0.14 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.465 -0.789 . . . . 15.0 109.128 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 452' ' ' THR . 2.6 tt 172.48 86.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.635 -1.246 . . . . 15.0 107.635 178.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . 0.627 ' HB3' ' HB3' ' A' ' 449' ' ' ASN . 13.1 tp10 -134.75 126.25 28.6 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.983 -0.553 . . . . 15.0 110.679 -173.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 11.0 p -108.37 102.05 11.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.09 0.472 . . . . 15.0 109.91 175.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 458' ' ' GLU . 21.7 m -107.68 125.67 51.64 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.846 -0.615 . . . . 15.0 110.758 -174.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.588 ' CZ3' ' HB3' ' A' ' 446' ' ' TYR . 98.5 m95 -93.83 -4.22 50.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 15.0 111.95 -173.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . 0.418 ' O ' HG22 ' A' ' 456' ' ' THR . 0.9 OUTLIER -123.36 148.18 46.3 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.039 -1.097 . . . . 15.0 108.039 175.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 460' ' ' PRO . 44.5 mtpt -58.67 119.22 34.98 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-O 120.945 0.402 . . . . 15.0 111.352 -174.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 459' ' ' LYS . 19.4 Cg_endo -58.33 154.53 40.38 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 123.267 2.644 . . . . 15.0 111.694 178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 45.5 tp60 -61.59 -9.35 5.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.585 . . . . 15.0 111.775 -176.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . 0.446 ' C ' HD12 ' A' ' 463' ' ' LEU . 30.9 mt-10 -88.78 -15.61 34.2 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.671 0.249 . . . . 15.0 111.671 177.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 462' ' ' GLU . 7.7 mp -130.09 -2.13 4.58 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.693 -0.231 . . . . 15.0 111.43 -176.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . . . . . . . . . 49.9 tttp . . . . . 0 C--O 1.254 1.332 0 CA-C-O 118.431 -0.795 . . . . 15.0 111.885 -171.394 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' VAL . . . . . . . . . . . . . 66.1 t . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.595 0.236 . . . . 15.0 110.519 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' SER . . . . . . . . . . . . . 15.9 t 65.52 -177.95 0.18 Allowed 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.731 -0.668 . . . . 15.0 111.422 176.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLU . . . . . 0.641 ' HG2' ' CB ' ' A' ' 451' ' ' ARG . 5.6 tp10 67.98 20.41 9.15 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.902 0.881 . . . . 15.0 111.408 -178.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' TRP . . . . . 0.478 ' CZ3' ' HB2' ' A' ' 449' ' ' ASN . 95.7 m95 -89.81 113.06 24.56 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.107 0.479 . . . . 15.0 110.994 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' THR . . . . . . . . . . . . . 7.3 m -109.14 115.96 31.02 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.633 -0.712 . . . . 15.0 109.201 175.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -89.9 131.81 35.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.286 0.565 . . . . 15.0 110.774 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' ARG . . . . . . . . . . . . . 25.7 tpt180 -120.57 116.41 25.32 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.734 -0.666 . . . . 15.0 110.089 176.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -90.01 115.89 27.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.759 -0.655 . . . . 15.0 109.93 177.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 444' ' ' LYS . 8.5 t -90.02 146.83 24.06 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.429 -0.582 . . . . 15.0 109.429 176.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' ALA . . . . . . . . . . . . . . . -65.96 -8.44 22.64 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.203 -0.453 . . . . 15.0 111.555 -175.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.27 -23.23 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.907 -0.588 . . . . 15.0 110.406 173.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . 104.67 30.4 4.93 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.743 -0.741 . . . . 15.0 112.027 -178.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' LYS . . . . . 0.401 ' O ' HG22 ' A' ' 440' ' ' THR . 30.8 mtmm -132.05 138.44 48.18 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.859 0.361 . . . . 15.0 110.516 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 28.5 m -114.3 100.22 8.18 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.936 -0.574 . . . . 15.0 110.081 177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' TYR . . . . . 0.523 ' HB3' ' CE3' ' A' ' 457' ' ' TRP . 55.9 p90 -99.37 139.92 34.31 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.266 0.555 . . . . 15.0 110.427 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -97.54 118.57 34.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.567 -0.742 . . . . 15.0 110.189 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -104.73 119.91 40.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.862 -0.608 . . . . 15.0 110.195 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' ASN . . . . . 0.478 ' HB2' ' CZ3' ' A' ' 435' ' ' TRP . 14.5 t-20 -89.97 116.59 28.13 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.043 -0.725 . . . . 15.0 109.043 176.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' ASN . . . . . 0.429 ' H ' ' HG3' ' A' ' 434' ' ' GLU . 28.5 t-20 -78.81 -14.85 59.03 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.437 -0.347 . . . . 15.0 111.783 -172.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ARG . . . . . 0.641 ' CB ' ' HG2' ' A' ' 434' ' ' GLU . 31.3 ttp180 -92.96 -29.45 15.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.822 0.344 . . . . 15.0 111.399 -176.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' THR . . . . . . . . . . . . . 39.6 p -110.36 -4.83 15.42 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.781 -0.368 . . . . 15.0 111.387 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' LEU . . . . . . . . . . . . . 11.2 mp 63.59 24.1 13.85 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.066 -0.515 . . . . 15.0 110.976 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -92.45 119.76 32.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.837 -0.62 . . . . 15.0 111.235 -174.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -105.96 117.32 33.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.707 -0.479 . . . . 15.0 109.707 177.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' THR . . . . . . . . . . . . . 8.5 t -121.4 148.38 44.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.154 -0.476 . . . . 15.0 110.787 -178.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' TRP . . . . . 0.523 ' CE3' ' HB3' ' A' ' 446' ' ' TYR . 91.4 m95 -93.9 -1.24 55.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.915 -0.584 . . . . 15.0 109.62 177.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -101.82 151.46 22.04 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.196 -0.911 . . . . 15.0 110.027 -177.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' LYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 460' ' ' PRO . 68.5 mttm -80.19 118.44 72.43 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 109.864 -0.421 . . . . 15.0 109.864 176.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.512 ' HD2' HD23 ' A' ' 463' ' ' LEU . 32.4 Cg_exo -59.28 156.33 35.84 Favored 'Trans proline' 0 CA--C 1.52 -0.219 0 C-N-CA 123.492 2.795 . . . . 15.0 112.095 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -60.78 -17.67 50.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.593 -0.731 . . . . 15.0 111.36 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -73.01 -24.78 60.79 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.532 -0.304 . . . . 15.0 111.048 176.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' LEU . . . . . 0.512 HD23 ' HD2' ' A' ' 460' ' ' PRO . 2.5 mm? -109.84 -26.15 9.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.564 0.221 . . . . 15.0 111.186 -177.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' LYS . . . . . 0.431 ' HE2' ' C ' ' A' ' 464' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.563 -0.732 . . . . 15.0 109.982 -177.317 . . . . . . . . 2 2 . 1 stop_ save_