data_5mww_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 5mww _Structure_validation_residue.Date_analyzed 2017-06-09 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 ' 10' ' ' LEU . . . . . 0.517 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.409 -2.493 0 CA-C-O 121.156 0.503 . . . . 0.0 110.394 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.491 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 70.1 p -101.31 175.73 5.48 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -59.47 -37.71 78.91 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.959 1.362 . . . . 0.0 109.868 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.43 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 30.8 t70 -64.64 -41.1 96.37 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 112.059 -2.337 . . . . 0.0 112.347 175.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.517 ' CB ' ' HB3' ' A' ' 10' ' ' LEU . 27.7 mm-40 -74.76 -34.17 62.44 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 121.392 0.615 . . . . 0.0 110.383 -175.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.525 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 66.0 t -71.04 -39.81 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.092 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 8.3 mtmp? -55.97 -49.47 73.47 Favored 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.516 172.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -62.22 -28.94 70.04 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.7 pt20 -70.47 -52.54 21.36 Favored 'General case' 0 C--N 1.371 1.532 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.472 ' O ' HD11 ' A' ' 29' ' ' LEU . 35.0 mt -64.53 -35.14 80.01 Favored 'General case' 0 N--CA 1.41 -2.466 0 CA-C-N 113.493 -1.685 . . . . 0.0 111.429 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 12.6 m -59.39 -51.77 68.5 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.003 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.8 -42.63 97.68 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.319 0.58 . . . . 0.0 110.485 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.1 m -60.55 -48.51 81.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.067 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.98 92.77 Favored Glycine 0 C--O 1.209 -1.448 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.031 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.7 mmmt -65.1 -33.34 75.8 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 122.656 0.382 . . . . 0.0 112.005 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.13 -40.92 59.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.706 0.765 . . . . 0.0 110.943 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -83.27 -46.48 12.6 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.457 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.92 9.88 50.96 Favored Glycine 0 N--CA 1.427 -1.955 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 -174.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.6 p -164.68 156.92 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.686 0 CA-C-N 115.098 -0.551 . . . . 0.0 110.815 -173.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.472 HD11 ' O ' ' A' ' 19' ' ' LEU . 58.8 mt -153.04 132.48 12.9 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 124.951 1.3 . . . . 0.0 108.633 174.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 40.7 p -73.9 145.96 44.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -58.66 -39.47 80.69 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -77.92 -22.42 49.67 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 119.07 -1.052 . . . . 0.0 112.862 -173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.3 pt-20 -77.18 -24.95 51.41 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.43 ' O ' ' HG2' ' A' ' 38' ' ' MET . 93.4 mt -73.23 -43.53 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.356 175.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.77 69.64 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.543 1.137 . . . . 0.0 110.917 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.27 -53.4 58.56 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 125.698 1.599 . . . . 0.0 110.61 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -72.66 -26.64 61.71 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.809 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.3 mmt -82.74 -2.57 54.69 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.987 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -73.69 -11.99 60.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.946 0.879 . . . . 0.0 109.28 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.8 m -75.03 -22.17 58.6 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.818 0.818 . . . . 0.0 109.374 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -113.95 -173.83 2.35 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.202 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -115.24 87.3 2.63 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mm -115.67 116.81 53.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 CA-C-O 121.316 0.579 . . . . 0.0 110.447 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.53 165.31 24.49 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.999 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 p -58.47 -35.85 72.81 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 124.359 1.064 . . . . 0.0 111.075 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.43 -45.11 89.14 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.456 0.702 . . . . 0.0 110.81 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -74.13 -38.64 63.72 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.443 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -58.28 -42.56 86.84 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.005 176.197 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -53.71 -45.69 70.52 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.404 1.082 . . . . 0.0 110.531 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.06 -41.35 87.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.336 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.415 ' CE2' HD11 ' A' ' 55' ' ' LEU . 20.1 t80 -70.12 -38.17 75.5 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.325 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -62.55 -41.28 98.8 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 121.347 0.594 . . . . 0.0 110.585 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -62.67 -46.05 89.98 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.939 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.633 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 36.2 t80 -54.89 -54.55 41.07 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.396 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 85.5 mt -57.13 -45.21 83.71 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.08 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.9 -42.69 94.87 Favored Glycine 0 CA--C 1.504 -0.621 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.313 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.59 -29.37 68.71 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 66.6 mm-40 -80.0 -44.21 20.6 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.98 45.15 0.05 OUTLIER Glycine 0 C--N 1.3 -1.431 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.066 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.417 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 24.0 t -131.62 125.13 55.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 44.5 mt-10 -90.74 131.99 36.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -97.05 109.03 21.87 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.628 179.402 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.5 pt . . . . . 0 C--N 1.318 -0.788 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.339 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.77 0 CA-C-O 120.579 0.228 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.601 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 20.8 p -101.13 179.47 4.36 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -60.19 -39.99 88.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 123.048 1.404 . . . . 0.0 111.064 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.93 -34.22 77.3 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 112.364 -2.198 . . . . 0.0 113.064 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.601 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 11.6 mm100 -77.95 -36.39 49.29 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.369 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 48.3 t -71.81 -36.82 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.719 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.713 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -54.41 -46.82 73.22 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 172.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.3 -27.07 69.08 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.0 pt20 -72.05 -49.28 37.96 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 29' ' ' LEU . 65.9 mt -66.67 -40.27 88.52 Favored 'General case' 0 N--CA 1.415 -2.186 0 CA-C-N 113.135 -1.848 . . . . 0.0 111.482 -176.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 15.8 m -58.5 -49.63 76.68 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 124.163 0.914 . . . . 0.0 109.603 177.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 35.9 tt0 -61.92 -43.19 99.36 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.939 -177.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 m -63.73 -45.84 88.09 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.466 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.31 -32.91 85.76 Favored Glycine 0 C--O 1.208 -1.486 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.806 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.7 mmmt -65.38 -31.6 72.8 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.9 mttt -74.85 -42.26 58.29 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.848 0.832 . . . . 0.0 110.011 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -84.44 -49.72 8.41 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 122.54 1.162 . . . . 0.0 112.663 -173.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.93 8.89 41.2 Favored Glycine 0 N--CA 1.425 -2.056 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 -173.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.605 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.7 p -164.15 157.22 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.61 0 CA-C-N 115.23 -0.485 . . . . 0.0 110.427 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 19' ' ' LEU . 62.9 mt -151.06 142.05 23.01 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 124.694 1.198 . . . . 0.0 108.603 175.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.5 p -76.08 143.93 41.02 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 118.246 0.475 . . . . 0.0 110.015 171.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -57.96 -35.36 71.05 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.89 0.376 . . . . 0.0 110.418 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.83 -33.41 66.16 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -174.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.35 -29.89 61.77 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 119.229 -0.989 . . . . 0.0 108.593 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.416 HG23 HD13 ' A' ' 19' ' ' LEU . 87.7 mt -67.71 -42.53 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.805 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.187 176.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -33.91 76.45 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 123.725 0.81 . . . . 0.0 110.551 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.97 -55.29 36.78 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.52 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -69.74 -27.42 64.94 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.366 0.603 . . . . 0.0 110.053 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.401 ' HE3' HD11 ' A' ' 19' ' ' LEU . 23.8 mmt -83.24 -0.37 49.16 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.074 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.8 t -80.47 -15.8 55.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.4 t -70.26 -23.99 62.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -104.06 -36.15 7.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.549 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 79.13 72.6 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 126.098 1.759 . . . . 0.0 109.714 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.4 mm -101.36 130.85 50.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.756 -1.565 . . . . 0.0 108.793 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.22 162.17 25.88 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.738 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 t -62.02 -25.69 67.8 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 120.802 0.334 . . . . 0.0 110.821 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.75 -49.11 77.66 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.4 0.68 . . . . 0.0 110.157 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -79.08 -29.54 43.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.361 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.5 OUTLIER -61.36 -39.84 92.09 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.105 177.276 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.26 -39.88 76.51 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.462 0.705 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.12 -30.74 68.0 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.642 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -71.1 -35.79 71.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.08 -39.48 92.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.905 0.384 . . . . 0.0 110.985 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 38.0 tt0 -63.34 -45.9 89.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.511 175.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 44.9 t80 -55.53 -49.96 71.26 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.321 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.7 mt -57.11 -42.4 80.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.374 178.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.63 -40.65 99.04 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.782 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 52.0 mt-10 -65.2 -32.59 74.34 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 120.875 0.369 . . . . 0.0 111.709 178.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 28.2 mm-40 -77.93 -42.33 33.41 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.06 49.4 0.08 OUTLIER Glycine 0 C--N 1.308 -1.005 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.564 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 22.0 t -130.78 130.31 64.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.605 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 43.3 mt-10 -94.64 143.86 26.09 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 173.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.71 119.67 39.95 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 119.454 -0.899 . . . . 0.0 111.363 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 9.4 pt . . . . . 0 C--N 1.306 -1.286 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 175.056 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.492 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.423 -1.804 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.427 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 64.6 p -98.88 177.44 5.27 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -60.93 -39.3 88.93 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 122.456 1.122 . . . . 0.0 110.457 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.408 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 57.7 m-20 -64.69 -40.11 94.82 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 112.76 -2.018 . . . . 0.0 112.543 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.492 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 19.8 mm-40 -74.87 -35.21 62.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.33 0.586 . . . . 0.0 110.177 -176.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.558 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 78.1 t -71.25 -39.93 73.48 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.294 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 13' ' ' ASP . 46.6 mtmt -56.46 -47.18 79.71 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.78 -26.19 68.52 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.3 pt20 -70.75 -48.69 53.1 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-O 122.732 1.253 . . . . 0.0 107.995 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' O ' HD11 ' A' ' 29' ' ' LEU . 49.4 mt -67.25 -41.78 85.02 Favored 'General case' 0 N--CA 1.407 -2.582 0 CA-C-N 112.899 -1.955 . . . . 0.0 111.964 -177.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 21.1 m -57.86 -53.13 61.73 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 124.007 0.817 . . . . 0.0 110.432 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.0 tt0 -64.06 -40.2 95.76 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 123.667 0.605 . . . . 0.0 111.074 -174.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 59.4 m -62.54 -43.95 97.54 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.305 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.76 -35.25 89.44 Favored Glycine 0 C--O 1.211 -1.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.813 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 20' ' ' THR . 25.7 mmmt -63.05 -36.4 83.45 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 124.033 0.49 . . . . 0.0 111.337 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.6 mtpp -75.45 -40.94 56.88 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 121.499 0.666 . . . . 0.0 110.902 -178.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 22' ' ' SER . 91.7 mtt180 -80.17 -50.46 10.25 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 122.307 1.051 . . . . 0.0 111.004 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.1 1.12 30.0 Favored Glycine 0 N--CA 1.419 -2.461 0 CA-C-N 113.496 -1.684 . . . . 0.0 109.264 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -162.25 155.3 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 CA-C-O 120.697 0.284 . . . . 0.0 110.996 -174.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.464 HD11 ' O ' ' A' ' 19' ' ' LEU . 50.2 mt -142.06 147.97 37.67 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.497 1.119 . . . . 0.0 109.009 175.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.5 p -79.25 151.36 31.21 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 171.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -64.73 -37.82 88.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.587 0.708 . . . . 0.0 109.848 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.77 -27.46 55.31 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -172.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.44 -30.65 64.78 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.45 ' O ' ' HG2' ' A' ' 38' ' ' MET . 92.3 mt -67.89 -41.38 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.803 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.0 84.08 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 124.138 0.975 . . . . 0.0 110.247 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.67 -44.2 93.68 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.023 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mmt-85 -69.46 -31.28 69.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 122.164 -0.335 . . . . 0.0 111.032 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -82.81 1.28 39.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.465 -176.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -74.5 -11.89 60.34 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.05 0.452 . . . . 0.0 111.202 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.0 p -80.14 -27.43 39.08 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.819 0.819 . . . . 0.0 109.473 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -98.54 -168.12 1.6 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.669 -1.151 . . . . 0.0 107.936 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -124.66 81.4 1.94 Allowed 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.1 mm -107.02 116.87 51.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.81 0.814 . . . . 0.0 111.087 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -78.41 161.56 27.06 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.205 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.7 m -57.2 -32.43 66.47 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 123.583 0.753 . . . . 0.0 112.696 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.89 -41.94 86.35 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.239 0.542 . . . . 0.0 109.936 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -67.23 -39.63 86.24 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.039 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.438 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -64.47 -43.62 93.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.473 177.211 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.17 -44.75 79.64 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.102 0.561 . . . . 0.0 110.796 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -61.08 -38.34 85.9 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.549 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -69.92 -39.92 75.86 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.759 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -61.18 -44.56 97.11 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 121.132 0.491 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.91 -40.05 91.12 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.07 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.494 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 38.9 t80 -56.75 -49.63 74.67 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.165 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.0 mt -57.72 -45.67 85.44 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.48 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.7 -42.4 91.12 Favored Glycine 0 CA--C 1.507 -0.439 0 CA-C-N 114.308 -1.314 . . . . 0.0 111.261 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -64.88 -34.48 78.48 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 75.2 mm-40 -79.85 -38.92 31.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.402 -178.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.87 40.35 0.1 OUTLIER Glycine 0 C--N 1.301 -1.383 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.17 172.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.473 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 41.8 t -126.49 127.27 70.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -90.24 166.08 13.55 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.3 mt -125.07 115.75 21.0 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.134 0.492 . . . . 0.0 111.832 -174.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.0 pt . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.749 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.573 HD11 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.434 -1.245 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.658 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 14.6 p -100.93 172.54 6.97 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -62.39 -36.32 81.96 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.217 1.008 . . . . 0.0 110.618 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.85 -40.62 95.45 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.659 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.658 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 11.1 mm100 -71.73 -37.44 70.61 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -174.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.548 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 65.8 t -72.82 -37.28 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 CA-C-N 114.66 -1.154 . . . . 0.0 108.961 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -55.47 -49.58 72.11 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.167 172.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.73 -27.31 69.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.3 pt20 -71.54 -49.78 37.46 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.433 HD11 HG22 ' A' ' 34' ' ' ILE . 24.9 mt -67.48 -39.84 85.25 Favored 'General case' 0 N--CA 1.408 -2.529 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.555 -178.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.42 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 18.3 m -57.95 -51.95 67.51 Favored 'General case' 0 C--N 1.315 -0.922 0 O-C-N 123.723 0.64 . . . . 0.0 109.734 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 35.1 tt0 -63.32 -40.92 98.66 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.473 0.654 . . . . 0.0 110.592 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 m -64.13 -41.34 97.25 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.161 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.52 -34.87 85.5 Favored Glycine 0 C--O 1.199 -2.087 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 28.4 mmmt -66.58 -29.23 69.24 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 29.2 mtpp -75.69 -37.93 59.08 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.431 0.634 . . . . 0.0 110.514 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -86.98 -47.17 9.18 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 114.975 -1.011 . . . . 0.0 113.046 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.49 -0.05 46.51 Favored Glycine 0 N--CA 1.422 -2.267 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -172.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.1 p -157.54 159.23 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 0 CA-C-N 115.291 -0.455 . . . . 0.0 111.004 -172.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 59.7 mt -153.4 139.24 18.04 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 125.071 1.348 . . . . 0.0 107.982 174.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.47 HG21 HG13 ' A' ' 63' ' ' ILE . 48.1 p -79.77 147.29 31.91 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -55.3 -41.65 72.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -85.62 -11.94 52.67 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -172.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.2 pt-20 -80.49 -27.91 37.66 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 19' ' ' LEU . 84.6 mt -69.09 -41.94 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 CA-C-N 114.036 -1.438 . . . . 0.0 108.255 175.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.75 -31.16 70.89 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 124.417 1.087 . . . . 0.0 110.617 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.63 -50.53 72.2 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 124.306 1.043 . . . . 0.0 109.243 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -68.34 -32.31 72.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.865 0.84 . . . . 0.0 108.79 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 22.6 mmt -81.67 1.24 35.06 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.63 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.1 m -76.39 -16.1 59.79 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -68.98 -33.98 74.56 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.407 ' HB2' HG12 ' A' ' 43' ' ' ILE . 38.3 m-85 -98.39 -19.52 17.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.537 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 57.47 62.51 2.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.489 1.137 . . . . 0.0 110.061 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.512 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 39.5 mm -72.47 140.09 18.57 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.135 -175.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -73.05 156.13 39.08 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.037 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.7 t -58.6 -31.39 68.01 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.054 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.91 -57.15 14.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.301 1.04 . . . . 0.0 109.857 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.512 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 9.1 mt-30 -67.22 -33.06 74.57 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.854 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.534 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.4 mmt -64.41 -47.87 77.54 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.21 -43.59 87.74 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.772 0.829 . . . . 0.0 110.421 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -55.9 -46.95 78.23 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.996 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.401 ' CE1' HD12 ' A' ' 55' ' ' LEU . 21.2 t80 -69.24 -34.81 75.39 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.722 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -62.47 -43.53 98.6 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.887 0.375 . . . . 0.0 111.12 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.4 tp10 -64.11 -40.28 95.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.458 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 51.9 t80 -58.94 -51.44 70.05 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.398 177.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 80.9 mt -58.16 -42.62 86.37 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.147 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.52 -42.48 95.97 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.552 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 46.2 mt-10 -66.03 -30.5 71.05 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 26.9 mm-40 -75.75 -47.3 26.53 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.47 54.52 0.06 OUTLIER Glycine 0 C--N 1.301 -1.396 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.9 t -139.51 126.01 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -176.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -96.54 128.69 43.72 Favored 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.494 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mm? -92.08 103.76 16.22 Favored 'General case' 0 C--N 1.266 -3.061 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.125 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.47 HG13 HG21 ' A' ' 30' ' ' THR . 31.0 pt . . . . . 0 C--N 1.312 -1.052 0 CA-C-O 121.544 0.688 . . . . 0.0 111.853 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.467 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.432 -1.338 0 CA-C-O 121.081 0.467 . . . . 0.0 110.777 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.51 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 76.1 p -101.17 176.28 5.31 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.339 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.9 -39.5 92.19 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 122.561 1.172 . . . . 0.0 110.768 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 4.1 m-20 -65.34 -36.58 84.47 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.04 -1.891 . . . . 0.0 112.801 175.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.51 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 26.6 mm-40 -75.18 -35.72 61.54 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-O 121.152 0.501 . . . . 0.0 110.304 -177.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.9 t -71.07 -39.51 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.519 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' CE ' ' HA ' ' A' ' 13' ' ' ASP . 41.9 mtmt -55.09 -52.11 64.26 Favored 'General case' 0 N--CA 1.42 -1.952 0 O-C-N 123.804 0.69 . . . . 0.0 109.449 171.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 13' ' ' ASP . 45.2 mt-10 -62.67 -26.08 68.47 Favored 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -69.05 -57.07 5.92 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' HD11 ' A' ' 29' ' ' LEU . 20.3 mt -63.78 -37.68 88.27 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 113.265 -1.789 . . . . 0.0 111.603 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.447 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 12.2 m -60.76 -51.33 69.78 Favored 'General case' 0 N--CA 1.423 -1.785 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.323 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 11.8 tp10 -59.7 -46.02 90.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.499 0.666 . . . . 0.0 110.179 -175.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 m -66.35 -45.33 80.57 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.828 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.13 91.62 Favored Glycine 0 C--O 1.205 -1.684 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.1 mmmt -63.91 -34.02 77.01 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.098 -0.551 . . . . 0.0 111.867 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 57.9 mtpt -76.73 -40.71 47.71 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.664 0.745 . . . . 0.0 110.175 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -75.89 -48.41 21.46 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.132 -176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.24 -0.68 47.1 Favored Glycine 0 N--CA 1.42 -2.381 0 CA-C-N 113.165 -1.834 . . . . 0.0 108.588 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -158.79 158.52 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.185 0 CA-C-N 115.34 -0.43 . . . . 0.0 110.833 -172.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 19' ' ' LEU . 46.7 mt -148.57 136.97 21.25 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 124.62 1.168 . . . . 0.0 108.77 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.458 ' O ' HG13 ' A' ' 34' ' ' ILE . 27.4 p -75.68 140.19 42.36 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 118.18 0.446 . . . . 0.0 110.874 173.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -50.02 -39.95 43.17 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.2 -29.88 60.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.069 -0.652 . . . . 0.0 112.542 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.6 pt-20 -75.71 -28.98 58.81 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 119.186 -1.006 . . . . 0.0 108.297 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 30' ' ' THR . 71.8 mt -65.31 -44.16 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.734 175.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.91 69.28 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 123.821 0.848 . . . . 0.0 110.939 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.57 -54.29 47.24 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 124.422 1.089 . . . . 0.0 111.349 -173.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -70.0 -25.99 63.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.615 0.721 . . . . 0.0 109.399 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.483 ' SD ' HD11 ' A' ' 43' ' ' ILE . 22.5 mmt -85.06 -6.57 59.31 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.852 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.7 m -67.64 -14.04 62.6 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.8 t -75.63 -33.18 60.49 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -89.23 -43.64 10.84 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.647 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 62.29 78.81 0.28 Allowed 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.826 1.298 . . . . 0.0 108.544 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.496 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 29.7 mt -86.42 155.79 3.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 113.435 -1.712 . . . . 0.0 110.446 -171.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.08 155.54 39.35 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 173.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -61.05 -30.32 70.25 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.296 0.569 . . . . 0.0 109.63 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.62 -54.69 34.05 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 124.628 1.171 . . . . 0.0 110.934 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.496 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 5.3 mt-30 -70.62 -31.08 67.91 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.837 -176.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.427 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 1.0 OUTLIER -62.61 -50.6 70.63 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.657 179.419 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -64.71 -38.11 89.86 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.594 0.559 . . . . 0.0 109.925 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.97 -43.39 91.36 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 115.338 -0.847 . . . . 0.0 108.864 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -69.79 -38.7 76.77 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.828 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.58 -44.36 97.17 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.238 0.542 . . . . 0.0 110.734 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.12 -40.01 93.9 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.526 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.537 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 43.0 t80 -58.76 -51.14 71.25 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.26 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.442 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.7 mt -57.24 -41.72 80.09 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.047 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.63 -40.12 97.48 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.589 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.98 -35.69 81.99 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 26.1 mm-40 -76.25 -48.42 20.32 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -175.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.06 44.08 0.05 OUTLIER Glycine 0 C--N 1.305 -1.161 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.624 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.442 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.9 t -129.71 131.68 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -93.81 138.46 31.95 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -99.74 110.24 22.64 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.598 178.154 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.2 pt . . . . . 0 CA--C 1.488 -1.427 0 CA-C-O 122.625 1.203 . . . . 0.0 113.864 -178.645 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.541 HD11 ' H ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.426 -1.672 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.502 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 80.8 p -100.38 173.39 6.61 Favored 'General case' 0 N--CA 1.42 -1.975 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -59.83 -37.36 79.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.819 1.295 . . . . 0.0 110.595 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.43 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 23.8 t0 -64.16 -41.44 97.16 Favored 'General case' 0 CA--C 1.489 -1.387 0 CA-C-N 112.377 -2.192 . . . . 0.0 111.213 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.502 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 24.1 mm-40 -76.42 -33.7 58.8 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.059 -174.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.1 t -71.83 -38.99 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.638 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 8.4 mtmp? -56.73 -46.15 81.49 Favored 'General case' 0 N--CA 1.414 -2.25 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.65 -27.99 69.61 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.3 pt20 -70.14 -47.78 60.26 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.481 ' O ' HD13 ' A' ' 29' ' ' LEU . 59.2 mt -66.57 -44.76 81.4 Favored 'General case' 0 N--CA 1.409 -2.523 0 CA-C-N 113.24 -1.8 . . . . 0.0 111.743 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 19.7 m -57.78 -52.65 64.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.221 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 11.0 tp10 -61.66 -43.36 99.0 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 123.84 0.712 . . . . 0.0 109.888 -174.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 19.8 m -62.65 -47.19 84.79 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.856 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.57 -36.02 92.64 Favored Glycine 0 C--O 1.21 -1.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.333 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 20' ' ' THR . 22.0 mmmt -62.83 -34.41 77.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.435 -0.382 . . . . 0.0 111.188 177.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.8 mtpp -74.86 -42.99 56.86 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.308 0.575 . . . . 0.0 110.356 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 22' ' ' SER . 96.4 mtt180 -78.07 -47.05 19.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 122.522 1.153 . . . . 0.0 111.26 -174.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.12 6.46 45.33 Favored Glycine 0 N--CA 1.424 -2.113 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.985 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.0 p -164.74 160.87 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.704 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 19' ' ' LEU . 23.7 mt -148.83 146.72 28.11 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.988 1.315 . . . . 0.0 109.574 176.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 54.3 p -80.48 146.06 31.56 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 173.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -61.11 -38.63 87.01 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.62 0.724 . . . . 0.0 109.42 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -64.17 -43.06 96.31 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.424 -1.262 . . . . 0.0 113.556 -173.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.97 -27.6 62.88 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.537 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.444 ' O ' ' HG2' ' A' ' 38' ' ' MET . 97.3 mt -67.7 -42.5 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.228 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.223 177.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.89 78.47 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.755 0.788 . . . . 0.0 109.778 177.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.83 -46.95 87.64 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 125.462 1.505 . . . . 0.0 111.304 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -72.32 -29.72 64.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.172 0.51 . . . . 0.0 111.091 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.6 mmt -83.81 2.8 36.46 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.117 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -78.77 -11.85 60.0 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.7 t -71.42 -37.16 71.49 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 172.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.482 ' HB2' HG12 ' A' ' 43' ' ' ILE . 32.4 m-85 -95.46 -172.29 2.6 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.187 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.71 34.01 5.17 Favored 'General case' 0 C--N 1.263 -3.171 0 C-N-CA 125.023 1.329 . . . . 0.0 109.59 -174.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' A' ' 41' ' ' PHE . 30.6 mm -68.43 120.98 16.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.551 -175.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.99 165.63 20.53 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.609 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -59.42 -35.89 74.85 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 123.152 0.581 . . . . 0.0 110.559 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.15 -41.44 92.78 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.747 0.784 . . . . 0.0 110.031 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.42 -29.95 42.13 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.329 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.498 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -65.74 -45.1 83.86 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.307 174.322 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.74 -41.28 70.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.715 0.806 . . . . 0.0 110.714 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.63 -44.88 90.15 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.433 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -69.54 -36.3 76.24 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.476 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -60.99 -44.16 97.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 0.0 111.883 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.84 -37.56 84.71 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.999 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -57.94 -51.09 71.07 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.559 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.415 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 82.0 mt -56.64 -43.14 79.99 Favored 'General case' 0 C--O 1.249 1.046 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.683 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.34 93.52 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.451 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.25 -37.86 88.53 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -77.46 -36.24 53.12 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -175.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.04 47.63 0.09 OUTLIER Glycine 0 C--N 1.295 -1.743 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.716 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.415 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 50.9 t -133.12 125.43 51.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 40.1 mt-10 -87.35 165.19 15.79 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 123.144 0.278 . . . . 0.0 110.278 174.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.8 mt -121.91 117.68 27.05 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.395 0.617 . . . . 0.0 112.424 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 63' ' ' ILE . 22.5 pt . . . . . 0 C--N 1.306 -1.315 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.59 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.432 -1.37 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.439 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 65.2 p -96.4 175.76 6.3 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -64.62 -38.29 90.5 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-O 122.123 0.963 . . . . 0.0 110.857 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.38 -40.34 96.15 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 113.408 -1.724 . . . . 0.0 111.057 174.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.439 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 32.1 mm-40 -72.84 -37.67 67.35 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.491 -176.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.627 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 72.6 t -71.72 -41.77 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.322 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -177.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -56.34 -47.3 79.07 Favored 'General case' 0 N--CA 1.424 -1.73 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.821 173.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.88 -29.17 70.56 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 1.6 pt20 -69.93 -48.52 58.19 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.499 ' O ' HD13 ' A' ' 29' ' ' LEU . 43.4 mt -67.02 -41.25 86.96 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-N 113.277 -1.783 . . . . 0.0 111.783 -177.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 21.8 m -57.31 -53.36 58.95 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 124.021 0.826 . . . . 0.0 110.008 178.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.92 -41.5 97.64 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.656 0.741 . . . . 0.0 110.998 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -64.08 -44.57 91.98 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 114.656 -1.157 . . . . 0.0 110.456 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.64 -34.62 89.49 Favored Glycine 0 C--O 1.201 -1.935 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.436 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.9 mmmt -65.22 -34.1 77.58 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.37 -40.3 62.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.468 0.651 . . . . 0.0 110.133 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -82.19 -54.16 5.49 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 122.696 1.236 . . . . 0.0 111.766 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.41 1.49 29.46 Favored Glycine 0 N--CA 1.416 -2.684 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.129 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.4 p -157.1 156.26 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.705 0 CA-C-O 120.568 0.223 . . . . 0.0 111.292 -172.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 61.5 mt -150.27 134.14 16.83 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 124.87 1.268 . . . . 0.0 108.399 174.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.426 HG21 HG13 ' A' ' 63' ' ' ILE . 46.4 p -72.92 144.71 47.23 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 118.105 0.411 . . . . 0.0 110.254 173.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -55.17 -38.83 68.82 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.467 0.651 . . . . 0.0 110.796 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -80.05 -24.07 40.96 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.4 pt-20 -76.32 -27.05 56.38 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 118.391 -1.324 . . . . 0.0 107.778 176.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' A' ' 38' ' ' MET . 96.1 mt -70.48 -40.42 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.617 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -35.74 76.74 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 124.235 1.014 . . . . 0.0 110.613 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.49 -46.8 85.93 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.314 -174.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -72.42 -30.54 64.72 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.437 0.637 . . . . 0.0 109.349 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 22.0 mmt -83.11 -1.66 53.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.002 -177.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -75.06 -14.5 60.6 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 120.975 0.417 . . . . 0.0 110.31 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 m -73.36 -27.19 61.35 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.403 ' HB2' HG12 ' A' ' 43' ' ' ILE . 27.2 m-85 -100.32 -159.06 0.71 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.299 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -129.53 39.86 3.67 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.724 0.774 . . . . 0.0 109.307 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.403 HG12 ' HB2' ' A' ' 41' ' ' PHE . 39.6 mm -71.06 121.41 20.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.295 -175.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -75.86 163.13 27.53 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.072 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -66.08 -29.19 69.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.181 -0.304 . . . . 0.0 110.181 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.37 -30.93 67.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.08 0.467 . . . . 0.0 110.319 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.73 -32.55 57.87 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.797 0.808 . . . . 0.0 109.03 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.498 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -66.17 -39.88 90.09 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.532 173.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.27 -44.49 95.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.434 0.693 . . . . 0.0 111.845 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.49 -33.43 75.92 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.884 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -70.33 -37.2 74.63 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.96 -41.45 98.01 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.379 0.609 . . . . 0.0 109.989 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.1 tp10 -62.57 -43.57 98.49 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.92 177.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.06 -50.86 72.46 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.603 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.457 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 83.5 mt -57.59 -40.87 79.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.772 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.4 -40.12 98.21 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.715 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 47.4 mt-10 -63.86 -35.18 79.8 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 116.93 0.365 . . . . 0.0 111.814 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -77.56 -46.52 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.17 55.46 0.07 OUTLIER Glycine 0 C--N 1.3 -1.455 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.942 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 31.3 t -133.23 127.37 54.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -90.07 134.05 34.48 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mm? -98.4 106.75 19.07 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.345 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.426 HG13 HG21 ' A' ' 30' ' ' THR . 15.2 pt . . . . . 0 C--O 1.212 -0.875 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.409 -2.518 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.6 p -99.78 175.51 5.77 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -60.84 -39.55 89.5 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 122.358 1.075 . . . . 0.0 110.846 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.4 -39.1 93.21 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 113.299 -1.773 . . . . 0.0 112.049 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 10' ' ' LEU . 16.5 mm100 -72.02 -37.65 69.74 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.545 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 58.0 t -71.99 -42.31 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.153 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -55.22 -48.06 74.42 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.045 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.65 -31.11 71.2 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 176.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 6.7 pt20 -69.99 -48.4 58.33 Favored 'General case' 0 C--N 1.365 1.276 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 29' ' ' LEU . 20.1 mt -65.64 -40.0 92.04 Favored 'General case' 0 N--CA 1.416 -2.136 0 CA-C-N 113.603 -1.635 . . . . 0.0 111.607 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.437 ' OG1' ' HE2' ' A' ' 54' ' ' PHE . 17.0 m -59.78 -53.0 63.08 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.601 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 36.8 tt0 -64.5 -40.65 96.04 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.737 0.779 . . . . 0.0 110.717 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.8 m -68.55 -38.85 81.15 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.845 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.06 -33.74 87.95 Favored Glycine 0 C--O 1.205 -1.719 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -65.93 -34.33 77.88 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 124.12 0.541 . . . . 0.0 112.123 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.7 mtpp -74.99 -40.24 60.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-O 121.91 0.862 . . . . 0.0 109.341 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 26' ' ' ARG . 45.7 mtt180 -76.78 -46.89 23.37 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.351 -177.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 13.32 54.5 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 -174.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 14.7 p -172.1 156.96 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 114.433 -0.883 . . . . 0.0 109.236 -174.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 19' ' ' LEU . 34.9 mt -144.17 136.75 26.87 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 122.966 0.507 . . . . 0.0 109.797 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.452 HG22 HG13 ' A' ' 63' ' ' ILE . 37.1 p -76.64 136.41 39.17 Favored 'General case' 0 N--CA 1.425 -1.697 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 172.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -55.54 -38.01 68.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.818 0.447 . . . . 0.0 111.031 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 38.4 mt-10 -74.28 -21.48 59.73 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.301 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.1 -45.14 35.42 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 30' ' ' THR . 69.8 mt -58.32 -47.36 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.376 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.22 75.79 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 124.186 0.994 . . . . 0.0 111.609 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 33.7 tt0 -63.33 -43.91 96.41 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.013 -172.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.72 -26.98 63.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.405 ' HE2' HD11 ' A' ' 19' ' ' LEU . 23.6 mmt -83.47 -3.46 57.61 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.369 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 m -74.75 -8.57 56.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.429 0.633 . . . . 0.0 110.099 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -75.49 -21.0 58.4 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -114.6 -162.93 0.84 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.446 -1.252 . . . . 0.0 107.659 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -129.78 80.38 1.96 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 122.614 1.197 . . . . 0.0 108.221 175.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.74 117.24 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.998 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.409 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -71.68 155.19 40.77 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 113.715 -1.584 . . . . 0.0 109.339 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.7 m -60.11 -30.37 69.22 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.866 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -69.88 -34.63 73.8 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.143 0.497 . . . . 0.0 110.317 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -74.94 -29.19 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.707 0.765 . . . . 0.0 109.444 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -69.85 -40.32 75.87 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.495 173.209 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.416 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 22.8 t70 -58.29 -42.78 87.35 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.735 0.814 . . . . 0.0 112.569 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.13 -33.41 75.38 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.44 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -69.73 -36.87 76.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 20.8 m-85 -59.73 -41.61 91.3 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.025 0.44 . . . . 0.0 110.645 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 6.4 tp10 -62.82 -42.9 99.92 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.858 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.437 ' HE2' ' OG1' ' A' ' 20' ' ' THR . 35.9 t80 -59.34 -49.41 77.93 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.556 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.451 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 75.7 mt -57.02 -44.71 83.12 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.788 178.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.73 -38.8 92.64 Favored Glycine 0 C--O 1.242 0.602 0 CA-C-N 114.299 -1.319 . . . . 0.0 111.569 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 8.4 mm-40 -64.67 -36.24 83.63 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 123.251 0.62 . . . . 0.0 112.34 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -76.14 -35.7 59.1 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.68 33.48 0.48 Allowed Glycine 0 C--N 1.294 -1.781 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.692 176.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.3 t -115.25 126.88 72.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 45.5 mt-10 -95.03 139.87 30.78 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.66 123.29 46.72 Favored 'General case' 0 C--N 1.279 -2.469 0 C-N-CA 119.153 -1.019 . . . . 0.0 112.748 -177.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.452 HG13 HG22 ' A' ' 30' ' ' THR . 24.9 pt . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.45 ' H ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER . . . . . 0 CA--C 1.491 -1.316 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.586 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 21.0 p -95.83 175.08 6.64 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -177.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -60.8 -38.89 86.89 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-O 122.478 1.132 . . . . 0.0 109.975 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 12.6 m-20 -67.93 -36.37 80.03 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 112.977 -1.92 . . . . 0.0 113.255 174.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.586 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 15.9 mm100 -73.36 -37.22 66.14 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 76.5 t -72.55 -40.4 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.666 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.987 -178.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -56.48 -46.32 80.5 Favored 'General case' 0 N--CA 1.422 -1.86 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.413 ' HG3' ' O ' ' A' ' 13' ' ' ASP . 50.4 mt-10 -63.16 -28.02 69.77 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.8 pt20 -71.76 -50.66 28.05 Favored 'General case' 0 C--N 1.372 1.553 0 CA-C-O 122.184 0.992 . . . . 0.0 108.395 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' O ' HD11 ' A' ' 29' ' ' LEU . 52.3 mt -66.04 -40.54 91.09 Favored 'General case' 0 N--CA 1.41 -2.457 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.547 -176.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.7 m -58.49 -50.11 74.93 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.207 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -62.67 -43.54 98.54 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.004 0.907 . . . . 0.0 108.814 -175.322 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 m -65.87 -44.64 84.81 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.072 -1.422 . . . . 0.0 111.341 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.47 -34.49 90.1 Favored Glycine 0 C--O 1.207 -1.563 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -67.75 -29.34 68.53 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.434 -0.883 . . . . 0.0 113.307 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.9 mtpp -74.16 -43.72 56.3 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.613 0.72 . . . . 0.0 110.035 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -85.75 -51.92 6.12 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.949 -173.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.18 14.11 19.48 Favored Glycine 0 N--CA 1.426 -1.991 0 CA-C-N 113.657 -1.61 . . . . 0.0 109.586 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 7.1 p -168.63 155.66 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 115.505 -0.347 . . . . 0.0 110.514 -175.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 53.2 mt -148.44 138.63 22.52 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 124.746 1.218 . . . . 0.0 108.427 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 39.7 p -75.02 141.99 43.85 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 118.108 0.413 . . . . 0.0 110.405 173.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -55.38 -43.11 74.85 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.145 0.497 . . . . 0.0 110.288 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.06 -33.9 76.51 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.994 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.5 pt-20 -74.05 -28.64 61.5 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 118.533 -1.267 . . . . 0.0 108.957 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.439 ' O ' ' HG2' ' A' ' 38' ' ' MET . 88.4 mt -68.57 -43.79 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.979 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.768 175.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.93 85.67 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 124.366 1.067 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -59.8 -49.58 77.14 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.376 1.07 . . . . 0.0 111.683 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -67.97 -31.73 71.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.477 0.656 . . . . 0.0 110.166 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.3 mmt -81.43 -4.98 57.4 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.136 -177.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.1 m -73.05 -16.64 61.48 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.845 0.355 . . . . 0.0 110.44 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 m -75.56 -29.11 59.26 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -95.25 -21.15 18.63 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.688 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 66.48 68.57 0.43 Allowed 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 124.543 1.152 . . . . 0.0 108.986 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.3 mm -95.48 119.94 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.161 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.933 -178.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -65.13 149.75 49.35 Favored 'General case' 0 C--N 1.277 -2.549 0 CA-C-N 114.067 -1.424 . . . . 0.0 110.561 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.4 m -55.16 -31.1 61.08 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 124.013 0.925 . . . . 0.0 110.295 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.31 -48.04 77.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.771 1.228 . . . . 0.0 109.729 176.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -81.47 -27.16 34.73 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.679 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -60.34 -40.49 90.88 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.413 176.32 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.53 -42.3 78.23 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.185 0.594 . . . . 0.0 109.93 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.93 -43.24 91.14 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.422 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.33 -35.89 73.91 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.153 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.0 -44.32 97.6 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.0 0.428 . . . . 0.0 111.11 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.89 -36.2 81.73 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.173 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -59.17 -49.52 77.54 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 98.4 mt -58.52 -36.59 74.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.395 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.29 98.82 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.016 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -64.65 -33.57 76.24 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 120.948 0.404 . . . . 0.0 111.56 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -77.47 -38.77 48.5 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.63 51.98 0.2 Allowed Glycine 0 C--N 1.304 -1.241 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.314 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.1 t -132.7 124.97 51.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 42.7 mt-10 -89.86 139.53 30.5 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 174.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -101.06 117.58 35.31 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.674 -178.384 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' A' ' 30' ' ' THR . 16.4 pt . . . . . 0 CA--C 1.491 -1.317 0 CA-C-O 122.313 1.054 . . . . 0.0 113.579 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.517 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.529 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 47.0 p -97.95 177.51 5.41 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -62.07 -39.85 93.8 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 122.635 1.207 . . . . 0.0 110.551 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.49 -40.32 95.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 112.702 -2.044 . . . . 0.0 110.591 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.529 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 9.8 mm-40 -74.73 -36.87 62.65 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.265 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.7 t -69.8 -38.29 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.511 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -177.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -56.36 -41.46 76.2 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.461 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.65 -33.44 75.93 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.6 pt20 -70.46 -46.96 62.79 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-O 122.114 0.959 . . . . 0.0 108.883 -174.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.403 ' O ' HD13 ' A' ' 29' ' ' LEU . 42.8 mt -66.38 -38.39 87.43 Favored 'General case' 0 N--CA 1.408 -2.531 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 15.7 m -59.09 -52.36 66.06 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.587 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.81 -45.39 94.62 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.933 0.873 . . . . 0.0 110.086 -174.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.1 m -64.56 -46.25 83.59 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.408 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.76 -36.77 93.51 Favored Glycine 0 C--O 1.205 -1.716 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.758 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.3 mmmt -63.7 -36.24 83.19 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.955 0.502 . . . . 0.0 111.756 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.09 -40.43 65.01 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-O 121.265 0.555 . . . . 0.0 110.298 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -81.59 -51.85 7.8 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.956 0.884 . . . . 0.0 112.051 -175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.57 -4.16 27.84 Favored Glycine 0 N--CA 1.425 -2.065 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.098 -173.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -155.38 153.38 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.963 0 CA-C-O 121.19 0.519 . . . . 0.0 111.336 -172.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 19' ' ' LEU . 73.8 mt -141.38 144.73 34.67 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.168 174.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.442 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 41.5 p -84.03 150.44 25.6 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -63.15 -35.04 78.95 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 122.292 -0.255 . . . . 0.0 111.547 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -72.97 -29.67 63.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 119.835 -0.746 . . . . 0.0 112.594 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.8 pt-20 -75.61 -30.32 59.52 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.441 -0.903 . . . . 0.0 108.714 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 38' ' ' MET . 84.8 mt -69.74 -40.73 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.078 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.37 80.67 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.065 0.946 . . . . 0.0 110.13 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.02 -52.08 67.0 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.179 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -70.95 -29.33 65.31 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.3 mmt -83.58 -0.22 49.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.595 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 t -74.2 -17.23 60.93 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.338 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 p -73.06 -27.66 61.87 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 174.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -103.99 -172.03 2.04 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.42 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -125.04 93.27 3.84 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 172.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.8 mm -109.82 122.29 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.994 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.855 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -76.79 164.4 25.87 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.562 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -62.81 -29.46 70.74 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 123.324 0.65 . . . . 0.0 110.041 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.57 -54.19 48.4 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.143 0.973 . . . . 0.0 108.689 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -64.76 -38.78 92.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.618 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.6 OUTLIER -58.17 -46.41 85.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.275 179.067 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.38 -40.53 94.69 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.108 0.48 . . . . 0.0 110.513 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -60.33 -41.33 93.3 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.419 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -68.82 -38.86 80.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.9 -41.54 98.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.317 0.58 . . . . 0.0 110.415 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.18 -44.24 95.97 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.102 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.437 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 45.0 t80 -56.48 -52.24 65.44 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.444 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.453 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 89.1 mt -57.24 -43.88 83.32 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.771 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.36 -40.57 94.32 Favored Glycine 0 N--CA 1.453 -0.218 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.68 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.17 -33.1 74.99 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 67.0 mm-40 -79.09 -43.54 23.92 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.53 49.33 0.06 OUTLIER Glycine 0 CA--C 1.484 -1.897 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.883 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.453 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.7 t -133.29 122.26 44.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -88.7 136.74 32.84 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.44 106.68 18.27 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.453 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.429 HG13 HG22 ' A' ' 30' ' ' THR . 32.1 pt . . . . . 0 C--N 1.314 -0.971 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.646 177.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.415 -2.182 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.2 p -98.57 176.02 5.8 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -61.78 -38.53 88.39 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 122.739 1.257 . . . . 0.0 110.171 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.1 -42.37 99.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 112.679 -2.055 . . . . 0.0 111.127 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 22.0 mm-40 -72.5 -39.87 67.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.149 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.6 t -70.6 -39.76 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -55.06 -45.69 75.34 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.628 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.08 -28.22 69.64 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 6.9 pt20 -68.65 -47.78 65.69 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.403 HD11 HG23 ' A' ' 34' ' ' ILE . 32.3 mt -67.26 -42.3 84.13 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-N 113.324 -1.762 . . . . 0.0 112.519 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 m -58.02 -51.43 69.68 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.921 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 32.4 tt0 -63.32 -42.34 98.98 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.602 0.715 . . . . 0.0 110.896 -177.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -66.07 -43.47 87.31 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.819 -176.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.37 91.85 Favored Glycine 0 C--O 1.199 -2.04 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -66.13 -33.93 76.9 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 58.9 mtpt -75.34 -39.8 58.95 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.262 0.553 . . . . 0.0 110.199 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -79.25 -48.8 13.53 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.297 1.046 . . . . 0.0 110.913 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.32 12.04 37.18 Favored Glycine 0 N--CA 1.428 -1.85 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -173.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.0 p -166.2 152.1 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.753 0 CA-C-N 115.342 -0.429 . . . . 0.0 111.266 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 65.5 mt -148.28 132.3 17.22 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 124.799 1.24 . . . . 0.0 107.944 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.476 HG22 HG13 ' A' ' 63' ' ' ILE . 42.3 p -75.72 149.78 37.98 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.972 173.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -53.94 -38.02 64.5 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.784 0.326 . . . . 0.0 111.31 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.42 -33.56 60.94 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.38 -25.39 60.55 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 119.22 -0.992 . . . . 0.0 108.855 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.403 HG23 HD11 ' A' ' 19' ' ' LEU . 95.2 mt -72.37 -43.55 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.798 175.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.55 68.02 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.916 0.886 . . . . 0.0 110.696 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.03 -41.77 97.21 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.115 -173.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -75.42 -29.75 59.84 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.366 0.603 . . . . 0.0 109.75 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.6 mmt -83.62 -1.4 53.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.03 -175.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.2 p -67.95 -22.0 65.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.233 0.54 . . . . 0.0 110.34 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -68.13 -28.07 67.0 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.526 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -104.83 -173.92 2.42 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -119.28 81.29 1.69 Allowed 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.1 mm -102.22 122.11 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.941 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.69 162.81 28.78 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 113.841 -1.527 . . . . 0.0 110.452 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 p -67.65 -22.12 65.33 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.641 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -71.28 -48.65 49.53 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -62.4 -41.49 98.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.009 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.4 mmt -61.39 -43.69 98.44 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.81 178.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.5 -36.93 85.31 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.046 0.45 . . . . 0.0 110.256 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -59.86 -43.97 94.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.139 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.77 -35.98 77.75 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.573 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.05 -42.49 98.58 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 118.069 0.395 . . . . 0.0 111.754 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.76 -43.23 97.05 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.409 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 57.6 t80 -55.42 -51.66 66.14 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.925 0.766 . . . . 0.0 110.293 178.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.0 mt -57.76 -43.42 85.44 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.469 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.54 -41.4 98.72 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.619 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -64.19 -34.26 77.67 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 122.936 0.495 . . . . 0.0 111.633 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 84.2 mm-40 -77.23 -38.38 51.34 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.23 49.06 0.12 Allowed Glycine 0 C--N 1.302 -1.34 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.561 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.8 t -130.46 132.48 64.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -92.28 131.18 37.7 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -95.39 97.9 10.16 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.65 177.531 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.476 HG13 HG22 ' A' ' 30' ' ' THR . 34.8 pt . . . . . 0 C--N 1.306 -1.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.649 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.427 -1.605 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.563 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 11.1 p -100.53 174.05 6.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.66 -38.42 91.05 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 122.78 1.276 . . . . 0.0 110.418 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -64.73 -35.15 80.13 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 112.293 -2.231 . . . . 0.0 111.616 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.563 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 15.4 mm100 -76.58 -38.24 55.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.2 t -71.35 -37.93 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -56.96 -44.22 82.36 Favored 'General case' 0 N--CA 1.409 -2.493 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.092 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.07 -31.36 71.78 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.9 pt20 -70.42 -48.63 55.12 Favored 'General case' 0 CA--C 1.484 -1.571 0 CA-C-O 122.455 1.121 . . . . 0.0 109.037 -175.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' O ' HD11 ' A' ' 29' ' ' LEU . 54.1 mt -65.89 -40.04 91.21 Favored 'General case' 0 N--CA 1.401 -2.908 0 CA-C-N 113.226 -1.806 . . . . 0.0 111.076 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -59.29 -51.43 70.0 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 124.094 0.871 . . . . 0.0 110.086 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.32 -44.34 96.72 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 122.183 0.992 . . . . 0.0 110.177 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.9 m -66.14 -46.39 77.64 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.249 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.69 -32.65 84.88 Favored Glycine 0 C--O 1.212 -1.26 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.443 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 27.2 mmmt -64.5 -35.56 81.36 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 178.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.82 -42.1 34.9 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-O 122.021 0.915 . . . . 0.0 110.757 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 28' ' ' VAL . 94.2 mtt180 -75.83 -48.3 22.12 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.275 -176.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 4.6 47.68 Favored Glycine 0 N--CA 1.428 -1.852 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.927 -173.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.435 ' O ' ' HD2' ' A' ' 26' ' ' ARG . 8.3 p -162.29 156.97 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.671 0 CA-C-N 115.346 -0.427 . . . . 0.0 110.951 -172.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.491 HD11 ' O ' ' A' ' 19' ' ' LEU . 38.0 mt -148.31 139.73 23.5 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 124.15 0.98 . . . . 0.0 109.369 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.6 p -75.68 140.17 42.37 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 118.093 0.406 . . . . 0.0 111.103 175.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -50.83 -37.87 45.49 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.045 0.938 . . . . 0.0 112.789 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -86.57 -24.97 25.24 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.483 -0.887 . . . . 0.0 113.293 -173.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 12.8 pt-20 -73.75 -31.8 63.51 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 118.111 -1.436 . . . . 0.0 107.897 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.439 ' O ' ' HG2' ' A' ' 38' ' ' MET . 84.6 mt -62.78 -44.35 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.233 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.832 175.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.05 87.32 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 124.11 0.964 . . . . 0.0 110.721 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.69 -47.66 84.77 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.082 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 54.5 mmt-85 -66.17 -32.54 74.05 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -82.27 -5.14 58.34 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.528 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 m -78.48 -5.51 52.76 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.294 0.569 . . . . 0.0 110.002 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 m -73.31 -30.53 63.43 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -103.66 -166.48 1.26 Allowed 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 114.02 -1.445 . . . . 0.0 107.641 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.62 64.66 0.74 Allowed 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.7 mm -100.96 115.0 41.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-O 121.55 0.691 . . . . 0.0 110.404 -175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -77.16 168.46 20.02 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.604 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.7 t -61.94 -30.95 71.26 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.494 0.718 . . . . 0.0 109.407 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.9 -47.36 85.26 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 125.059 1.343 . . . . 0.0 109.23 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -77.55 -35.92 52.72 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.099 -1.41 . . . . 0.0 109.932 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.492 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -59.98 -38.09 81.54 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.99 176.548 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.12 -42.02 76.2 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.34 0.656 . . . . 0.0 111.443 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.38 -37.84 88.23 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.669 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -71.22 -34.67 71.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.637 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.76 -39.86 93.11 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 120.901 0.382 . . . . 0.0 110.538 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 8.6 tp10 -63.29 -47.17 83.42 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.228 176.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 46.8 t80 -55.43 -50.34 70.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 O-C-N 123.935 0.772 . . . . 0.0 110.861 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 85.6 mt -58.14 -42.86 86.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.827 178.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.51 96.33 Favored Glycine 0 C--O 1.237 0.318 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.208 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 48.6 mt-10 -63.82 -32.93 74.61 Favored 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 122.651 0.38 . . . . 0.0 111.405 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 25.2 mm-40 -78.89 -53.22 7.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.24 49.43 0.03 OUTLIER Glycine 0 C--N 1.302 -1.351 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.5 t -133.83 131.99 56.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 45.5 mt-10 -97.87 140.15 32.66 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 173.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.84 112.49 24.57 Favored 'General case' 0 N--CA 1.408 -2.571 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.035 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.3 pt . . . . . 0 CA--C 1.462 -2.406 0 CA-C-O 122.152 0.977 . . . . 0.0 111.522 178.755 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.423 -1.789 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.476 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 55.2 p -99.43 178.56 4.84 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -64.27 -36.44 84.11 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.684 1.231 . . . . 0.0 110.301 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.62 -40.21 95.07 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 112.906 -1.952 . . . . 0.0 113.013 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.485 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 15.7 mm-40 -75.27 -36.61 61.19 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.496 -176.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.544 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.6 t -71.02 -37.98 69.95 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.719 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -55.14 -47.95 74.37 Favored 'General case' 0 N--CA 1.408 -2.571 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.303 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.31 -26.24 68.4 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.9 pt20 -71.03 -50.18 36.85 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 122.609 1.195 . . . . 0.0 108.609 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD13 HG22 ' A' ' 34' ' ' ILE . 25.6 mt -66.08 -39.53 90.1 Favored 'General case' 0 N--CA 1.414 -2.236 0 CA-C-N 113.248 -1.796 . . . . 0.0 111.791 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 17.0 m -60.03 -50.19 74.7 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.402 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.92 -40.98 99.24 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 123.853 0.721 . . . . 0.0 109.838 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -62.0 -48.21 81.32 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.435 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.13 91.61 Favored Glycine 0 C--O 1.207 -1.553 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.814 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 20' ' ' THR . 29.8 mmmt -63.28 -35.86 81.75 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 122.895 0.478 . . . . 0.0 112.257 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -75.01 -39.13 61.33 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.276 0.56 . . . . 0.0 111.053 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -84.34 -54.94 4.44 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 122.247 1.022 . . . . 0.0 111.72 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.91 -5.4 18.38 Favored Glycine 0 N--CA 1.426 -1.995 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.116 -174.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.4 p -156.32 157.26 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 CA-C-O 120.72 0.295 . . . . 0.0 111.136 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 19' ' ' LEU . 68.6 mt -145.74 141.72 28.27 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 124.627 1.171 . . . . 0.0 108.59 175.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.439 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 44.0 p -79.93 144.11 33.63 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -57.2 -36.11 70.44 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.142 0.496 . . . . 0.0 111.047 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -77.55 -23.76 50.0 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.237 -173.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 30' ' ' THR . 15.4 pt-20 -80.32 -29.13 38.05 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 176.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG22 HD13 ' A' ' 19' ' ' LEU . 89.5 mt -67.07 -41.68 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.124 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.779 175.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.09 -30.72 71.28 Favored 'General case' 0 N--CA 1.432 -1.347 0 C-N-CA 124.081 0.953 . . . . 0.0 110.857 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.86 -51.82 68.09 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.886 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -69.18 -30.49 68.7 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -81.3 -3.36 52.3 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.829 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t -79.98 -4.26 51.76 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 t -74.08 -28.89 61.6 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -110.24 -169.57 1.49 Allowed 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 114.098 -1.41 . . . . 0.0 107.301 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -125.23 89.64 3.09 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.5 129.81 60.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.627 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.69 167.72 21.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.535 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.6 t -66.82 -32.06 73.1 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 176.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.58 -43.73 75.9 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.59 -36.8 84.99 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.987 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -64.8 -42.1 95.28 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.848 175.618 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.401 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 19.4 t70 -61.14 -34.93 75.79 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.319 0.387 . . . . 0.0 110.661 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.64 -47.56 81.89 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.648 0.737 . . . . 0.0 109.522 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -68.57 -34.43 75.8 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.0 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 22.9 m-85 -61.89 -42.15 98.74 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.291 -0.256 . . . . 0.0 111.35 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.25 -43.45 98.8 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.355 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.452 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 51.4 t80 -57.64 -50.39 73.31 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 83.0 mt -57.34 -42.49 82.08 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.565 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.53 98.63 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.802 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.25 -38.81 88.05 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 122.989 0.515 . . . . 0.0 111.072 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 24.7 mm-40 -76.15 -50.16 15.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 -176.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.3 56.65 0.04 OUTLIER Glycine 0 C--N 1.304 -1.199 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.075 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.5 t -139.2 128.75 30.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 40.3 mt-10 -90.68 136.49 33.03 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.91 112.39 25.34 Favored 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.353 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.7 pt . . . . . 0 C--N 1.307 -1.266 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.752 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.424 -1.734 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.464 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 23.8 p -101.76 171.53 7.48 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.214 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -60.73 -37.09 80.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.558 1.171 . . . . 0.0 110.716 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.409 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 20.6 m-20 -64.62 -38.08 89.78 Favored 'General case' 0 CA--C 1.5 -0.942 0 CA-C-N 112.897 -1.956 . . . . 0.0 111.974 175.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.464 ' HB2' ' H ' ' A' ' 11' ' ' THR . 8.7 mm100 -73.64 -38.41 65.01 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.449 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.586 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 76.5 t -72.71 -38.48 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.358 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.185 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.2 mtmt -57.4 -49.96 74.51 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.16 -26.18 68.19 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.7 pt20 -71.3 -51.28 25.3 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-O 122.201 1.0 . . . . 0.0 108.901 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD13 HG22 ' A' ' 34' ' ' ILE . 56.7 mt -66.67 -35.87 81.18 Favored 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 113.134 -1.848 . . . . 0.0 112.068 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.0 m -57.5 -51.01 71.19 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.917 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 25.2 tt0 -62.77 -42.11 99.54 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.685 0.755 . . . . 0.0 110.463 -174.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 25.1 m -64.78 -45.78 84.89 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.698 -176.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.78 89.62 Favored Glycine 0 C--O 1.209 -1.444 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 27.2 mmmt -64.31 -34.76 78.89 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.951 -0.625 . . . . 0.0 112.393 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 60.2 mtpt -76.89 -37.73 54.9 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.204 0.526 . . . . 0.0 111.295 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 22' ' ' SER . 87.5 mtt180 -85.13 -46.64 10.93 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 122.189 0.995 . . . . 0.0 111.819 -175.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.67 5.77 44.61 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 -174.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 8.3 p -162.5 156.39 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.923 0 CA-C-N 115.313 -0.444 . . . . 0.0 110.169 -174.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 67.3 mt -150.55 142.2 23.62 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 174.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.409 ' CG2' HG13 ' A' ' 63' ' ' ILE . 39.4 p -74.1 139.67 44.76 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.281 170.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.422 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 70.7 m-85 -51.31 -40.65 59.47 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.646 0.736 . . . . 0.0 110.394 178.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -82.11 -25.34 34.55 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.7 -25.71 62.2 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 118.576 -1.249 . . . . 0.0 107.799 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.447 HG22 HD13 ' A' ' 19' ' ' LEU . 84.5 mt -67.49 -42.91 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-N 113.954 -1.476 . . . . 0.0 109.211 175.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.29 -28.81 67.51 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.266 1.027 . . . . 0.0 111.334 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -51.6 68.89 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 123.707 0.803 . . . . 0.0 110.411 -175.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -69.95 -24.5 63.36 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.965 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.3 mmt -84.38 -6.64 59.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 m -61.34 -27.46 68.52 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.386 0.613 . . . . 0.0 109.934 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -60.86 -29.89 69.8 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.859 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.49 ' HB2' HG12 ' A' ' 43' ' ' ILE . 28.5 m-85 -110.36 -5.43 15.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.289 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 60.26 39.03 19.54 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.083 0.953 . . . . 0.0 111.253 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG12 ' HB2' ' A' ' 41' ' ' PHE . 45.1 mm -63.68 126.91 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.741 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -75.89 159.85 30.52 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.504 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -57.43 -34.49 69.01 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 123.859 0.864 . . . . 0.0 111.297 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.83 -49.36 73.15 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 121.427 0.632 . . . . 0.0 109.607 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.02 -37.12 86.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.516 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.492 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -59.35 -42.0 90.52 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.694 176.73 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 52' ' ' TYR . 23.5 t70 -61.78 -38.56 88.52 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.666 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.4 -40.02 89.44 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.604 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.426 ' CE2' HD12 ' A' ' 55' ' ' LEU . 23.1 t80 -71.09 -36.68 72.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.334 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.408 ' CD1' ' HA ' ' A' ' 49' ' ' ASP . 23.0 m-85 -62.54 -42.6 99.63 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.578 0.704 . . . . 0.0 110.699 -179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.22 -38.87 92.85 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.507 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.4 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 37.4 t80 -60.96 -51.6 68.59 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.941 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.426 HD12 ' CE2' ' A' ' 51' ' ' TYR . 96.9 mt -57.75 -39.86 78.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.155 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.37 -41.63 98.56 Favored Glycine 0 CA--C 1.511 -0.218 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.516 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -65.17 -31.19 72.25 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.424 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 79.8 mm-40 -78.35 -47.9 16.71 Favored 'General case' 0 C--O 1.227 -0.131 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.83 51.64 0.06 OUTLIER Glycine 0 C--N 1.308 -1.02 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.44 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.4 t -133.31 128.01 54.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 46.8 mt-10 -89.97 140.06 29.99 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 172.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.6 mm? -102.8 116.75 33.17 Favored 'General case' 0 N--CA 1.41 -2.462 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.758 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.409 HG13 ' CG2' ' A' ' 30' ' ' THR . 4.6 pt . . . . . 0 CA--C 1.483 -1.623 0 CA-C-O 122.145 0.974 . . . . 0.0 111.739 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.416 -2.163 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.502 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 14.7 p -98.77 173.56 6.82 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -64.02 -39.54 94.33 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 122.742 1.258 . . . . 0.0 110.043 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -67.45 -34.58 77.49 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 112.586 -2.097 . . . . 0.0 112.571 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.502 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 14.8 mm100 -73.58 -37.75 65.39 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 ' HB2' ' A' ' 10' ' ' LEU . 54.6 t -71.99 -39.93 67.12 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.454 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -177.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -55.62 -49.21 73.44 Favored 'General case' 0 N--CA 1.415 -2.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.884 171.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.79 -27.6 69.41 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -68.24 -58.05 5.03 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.447 ' O ' HD11 ' A' ' 29' ' ' LEU . 34.8 mt -64.27 -41.9 96.71 Favored 'General case' 0 N--CA 1.407 -2.586 0 CA-C-N 113.568 -1.651 . . . . 0.0 111.875 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.5 m -59.92 -52.82 63.8 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.901 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.5 tt0 -64.33 -38.79 92.3 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.927 0.87 . . . . 0.0 110.232 -174.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.9 m -64.92 -47.08 79.01 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.542 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.52 -33.1 85.44 Favored Glycine 0 C--O 1.2 -1.994 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 28.8 mmmt -66.93 -29.97 69.99 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 177.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 94.8 mttt -76.6 -46.17 27.18 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 122.021 0.915 . . . . 0.0 109.637 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -77.06 -48.01 19.02 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.304 -173.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.45 6.74 50.15 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 113.615 -1.63 . . . . 0.0 109.121 -174.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -160.26 156.83 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 CA-C-N 115.162 -0.519 . . . . 0.0 111.269 -171.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 58.9 mt -151.59 136.37 17.17 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 125.104 1.362 . . . . 0.0 108.254 174.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.515 HG21 HG13 ' A' ' 63' ' ' ILE . 38.8 p -80.99 144.65 31.66 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 117.927 0.33 . . . . 0.0 110.275 173.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.4 ' HD1' ' CZ ' ' A' ' 52' ' ' TYR . 98.4 m-85 -56.34 -37.94 70.67 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.034 0.445 . . . . 0.0 110.828 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.58 -39.93 95.27 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.354 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.4 pt-20 -77.47 -28.05 52.17 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -176.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 30' ' ' THR . 85.3 mt -67.35 -47.68 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.003 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.4 -28.5 67.97 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.749 0.82 . . . . 0.0 110.647 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.89 -55.54 32.87 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.859 -174.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -71.46 -21.86 61.9 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.684 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.1 mmt -85.56 -7.48 58.84 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.104 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.5 m -64.9 -21.94 66.91 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -65.59 -37.3 86.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.42 0.628 . . . . 0.0 109.513 175.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -90.33 -25.37 20.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.94 -177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 68.62 62.17 0.35 Allowed 'General case' 0 C--O 1.243 0.752 0 C-N-CA 124.752 1.221 . . . . 0.0 109.365 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.2 mm -87.03 127.94 40.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 113.917 -1.492 . . . . 0.0 108.918 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -79.88 168.05 19.76 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 123.736 0.814 . . . . 0.0 111.75 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -60.18 -35.03 74.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.97 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.72 -49.06 76.33 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.131 0.967 . . . . 0.0 110.131 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -72.48 -39.94 67.32 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.893 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -62.8 -38.36 90.38 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.26 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.94 -48.04 64.46 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.417 1.087 . . . . 0.0 111.421 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.14 -33.49 75.56 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.949 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -70.5 -37.14 74.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CZ ' ' HD1' ' A' ' 31' ' ' TYR . 22.6 m-85 -61.26 -44.04 97.89 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.818 0.818 . . . . 0.0 109.635 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 39.8 tt0 -62.82 -42.71 99.84 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 113.822 -1.535 . . . . 0.0 109.603 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.484 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 42.3 t80 -59.44 -50.9 72.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.447 176.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.8 mt -56.98 -43.44 81.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.509 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.61 -39.45 95.12 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.626 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 20.6 mm-40 -64.44 -34.13 77.48 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 120.951 0.405 . . . . 0.0 111.612 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 22.3 mm-40 -77.21 -46.57 22.82 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.83 50.05 0.06 OUTLIER Glycine 0 C--N 1.298 -1.56 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.684 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 26.6 t -131.92 127.32 58.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.93 130.21 38.59 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.523 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -92.92 109.24 20.68 Favored 'General case' 0 N--CA 1.427 -1.617 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.275 -179.326 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.515 HG13 HG21 ' A' ' 30' ' ' THR . 33.0 pt . . . . . 0 C--N 1.308 -1.21 0 CA-C-O 121.733 0.778 . . . . 0.0 112.621 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.4 p -99.56 175.53 5.8 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.25 -35.42 80.98 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 122.626 1.203 . . . . 0.0 110.505 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.9 -40.45 97.6 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 112.639 -2.073 . . . . 0.0 111.495 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' A' ' 14' ' ' GLN . 15.7 mm-40 -75.78 -35.68 60.03 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.532 0.682 . . . . 0.0 110.765 -177.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.4 t -72.51 -39.58 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.547 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.169 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -56.39 -49.98 72.9 Favored 'General case' 0 N--CA 1.412 -2.34 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.257 0.4 OUTLIER -63.99 -22.05 66.76 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 176.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.2 pt20 -70.06 -48.89 55.97 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.421 HD11 HG22 ' A' ' 34' ' ' ILE . 53.4 mt -68.08 -38.39 82.3 Favored 'General case' 0 N--CA 1.405 -2.681 0 CA-C-N 113.259 -1.791 . . . . 0.0 112.479 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.0 m -57.14 -53.33 59.28 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 124.009 0.818 . . . . 0.0 108.85 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.1 tt0 -62.76 -43.04 99.84 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.279 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.1 m -63.71 -47.41 81.22 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.47 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.96 92.74 Favored Glycine 0 C--O 1.205 -1.691 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -65.76 -32.2 73.61 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 29.6 mtpp -74.68 -35.68 62.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.449 0.642 . . . . 0.0 111.074 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -86.55 -54.58 4.32 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 122.183 0.992 . . . . 0.0 112.288 -176.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.95 -0.16 27.13 Favored Glycine 0 N--CA 1.426 -2.023 0 CA-C-N 113.357 -1.747 . . . . 0.0 109.739 -173.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.2 p -159.79 158.42 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.675 0 CA-C-N 115.431 -0.384 . . . . 0.0 110.317 -173.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.4 mt -149.25 139.19 22.0 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 124.733 1.213 . . . . 0.0 108.401 174.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 25.5 p -75.92 141.02 42.4 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 171.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 52' ' ' TYR . 59.6 m-85 -53.27 -41.79 65.88 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.13 0.49 . . . . 0.0 112.079 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -70.18 -33.73 72.1 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.3 pt-20 -74.67 -22.74 58.71 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 119.222 -0.991 . . . . 0.0 109.069 -176.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 19' ' ' LEU . 89.5 mt -71.66 -41.56 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.458 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.78 -28.32 68.29 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.06 0.944 . . . . 0.0 110.917 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.78 -53.04 62.54 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.052 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -71.79 -23.39 61.56 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.329 -177.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.8 mmt -84.92 -6.43 59.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.755 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -76.03 -12.99 60.23 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.151 0.501 . . . . 0.0 109.727 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -72.93 -25.93 61.21 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 173.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -105.38 -171.36 1.9 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -122.62 91.59 3.53 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 173.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.9 mm -112.13 122.52 66.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.802 -175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 42.9 mt-10 -70.51 154.39 41.93 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.22 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.0 t -63.26 -26.65 68.88 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.4 0.619 . . . . 0.0 109.498 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.46 -45.0 95.05 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.349 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.413 ' HG3' ' HB2' ' A' ' 44' ' ' GLU . 16.1 mt-30 -72.55 -35.82 68.11 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.274 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.48 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -57.68 -41.63 81.98 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.573 177.466 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.56 -35.82 80.69 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.883 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.7 -43.02 94.27 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -69.44 -39.0 78.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.146 177.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.412 ' CZ ' ' HD2' ' A' ' 31' ' ' TYR . 23.0 m-85 -61.58 -44.67 96.59 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 120.985 0.421 . . . . 0.0 111.4 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 35.4 tt0 -64.49 -39.21 93.37 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.699 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.98 -51.3 70.23 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 123.944 0.777 . . . . 0.0 109.712 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.1 mt -56.61 -45.23 81.58 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.55 179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.25 -40.46 97.4 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.749 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 89.9 mt-10 -65.73 -32.31 73.79 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 177.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -78.44 -43.45 27.2 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.18 40.8 0.1 Allowed Glycine 0 C--N 1.294 -1.787 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.195 176.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 23.7 t -125.27 124.53 67.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 51.7 mt-10 -91.52 135.82 33.58 Favored 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -99.25 116.11 30.69 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.184 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.1 pt . . . . . 0 C--N 1.304 -1.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.485 175.571 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.409 -2.476 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.469 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 33.8 p -105.75 179.17 4.35 Favored 'General case' 0 N--CA 1.411 -2.38 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -61.23 -36.67 80.59 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.106 0.955 . . . . 0.0 111.536 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -63.04 -42.4 99.72 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 113.595 -1.638 . . . . 0.0 110.722 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.469 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 11.4 mm100 -73.18 -40.14 65.03 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.184 -172.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 70.3 t -70.78 -38.39 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.899 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -56.95 -47.08 81.51 Favored 'General case' 0 N--CA 1.408 -2.559 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.332 173.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.5 -28.0 69.53 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.1 pt20 -70.61 -51.21 29.74 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.082 0.944 . . . . 0.0 108.763 -178.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.417 HD12 HG23 ' A' ' 34' ' ' ILE . 29.4 mt -66.69 -42.34 86.64 Favored 'General case' 0 N--CA 1.416 -2.168 0 CA-C-N 113.642 -1.617 . . . . 0.0 112.245 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -57.77 -50.88 71.77 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.051 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.15 -40.44 97.58 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.604 0.716 . . . . 0.0 109.649 -176.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.0 m -63.13 -45.33 92.44 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.609 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.95 -35.92 92.47 Favored Glycine 0 N--CA 1.425 -2.068 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -64.55 -36.54 84.56 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -76.05 -32.17 59.18 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.139 0.495 . . . . 0.0 111.451 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -89.75 -52.76 4.83 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 122.577 1.179 . . . . 0.0 112.48 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.26 -1.01 26.71 Favored Glycine 0 N--CA 1.434 -1.484 0 CA-C-N 113.454 -1.703 . . . . 0.0 109.955 -174.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 11.2 p -159.45 150.66 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 CA-C-O 121.071 0.462 . . . . 0.0 111.053 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.9 mt -138.08 145.45 41.73 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.849 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.466 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 32.1 p -79.68 139.37 37.4 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -54.61 -36.89 64.94 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 121.131 0.491 . . . . 0.0 111.546 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -78.64 -26.77 45.25 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -172.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.9 pt-20 -74.38 -26.14 59.92 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.417 HG23 HD12 ' A' ' 19' ' ' LEU . 81.6 mt -68.95 -43.04 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.687 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.609 176.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.01 -33.42 74.57 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.827 0.822 . . . . 0.0 110.209 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 29.0 tt0 -59.39 -51.87 68.05 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 125.325 1.45 . . . . 0.0 111.631 -173.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -72.47 -21.7 61.18 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.038 0.447 . . . . 0.0 110.676 -177.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.7 mmt -85.6 2.7 43.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.639 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.4 p -66.22 -17.51 64.78 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.3 0.572 . . . . 0.0 111.973 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.9 m -74.21 -20.74 60.09 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 121.564 0.697 . . . . 0.0 109.644 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -112.64 -177.57 3.18 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -119.68 72.83 0.93 Allowed 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.8 mm -92.59 119.7 40.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.153 -174.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.99 156.61 39.04 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.183 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.7 m -60.45 -27.51 67.58 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.57 -46.19 80.4 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -66.51 -38.92 88.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.34 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.432 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -61.09 -40.53 94.07 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.303 177.544 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.08 -35.93 81.9 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.184 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.69 -43.34 99.05 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.685 0.755 . . . . 0.0 109.153 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -68.22 -36.59 79.74 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.271 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -62.85 -40.25 96.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.995 0.426 . . . . 0.0 110.401 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.97 -45.63 88.24 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.767 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.434 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 44.9 t80 -56.81 -50.32 72.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.706 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.49 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 91.7 mt -57.94 -43.26 86.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.365 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.49 -40.76 98.16 Favored Glycine 0 C--O 1.241 0.532 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.231 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.73 -33.86 76.6 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 123.292 0.637 . . . . 0.0 112.3 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 73.7 mm-40 -79.8 -39.5 30.69 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.2 43.43 0.15 Allowed Glycine 0 C--N 1.303 -1.27 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.647 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.4 t -127.28 125.04 65.31 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 46.5 mt-10 -92.57 142.42 27.42 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 174.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.6 121.45 42.95 Favored 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.221 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.6 pt . . . . . 0 C--N 1.307 -1.274 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.659 175.677 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.413 -2.281 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.487 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 49.0 p -100.67 178.13 4.8 Favored 'General case' 0 N--CA 1.411 -2.403 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.5 -38.78 87.98 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.654 1.216 . . . . 0.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.442 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -65.86 -34.99 79.41 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 112.728 -2.033 . . . . 0.0 111.986 175.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.487 ' HB2' ' H ' ' A' ' 11' ' ' THR . 26.3 mm-40 -73.32 -40.23 64.65 Favored 'General case' 0 CA--C 1.494 -1.189 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.361 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.0 t -70.54 -36.79 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.924 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.1 mtmt -57.22 -47.25 81.79 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.639 171.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.17 -30.13 70.84 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.8 pt20 -70.36 -50.4 39.33 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 122.286 1.041 . . . . 0.0 108.702 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.442 HD13 HG22 ' A' ' 34' ' ' ILE . 27.8 mt -66.18 -39.26 89.59 Favored 'General case' 0 N--CA 1.411 -2.401 0 CA-C-N 113.488 -1.687 . . . . 0.0 112.307 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 17.0 m -58.82 -52.55 65.22 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.848 0.717 . . . . 0.0 110.538 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 10.1 tp10 -63.7 -41.12 98.16 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.111 0.957 . . . . 0.0 110.199 -175.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 24.0 m -65.35 -43.97 89.16 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.504 -177.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.24 -34.23 88.97 Favored Glycine 0 C--O 1.206 -1.608 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.8 mmmt -64.34 -33.76 76.58 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 177.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.9 mtpp -74.82 -39.63 61.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.076 0.941 . . . . 0.0 110.336 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 22' ' ' SER . 95.0 mtt180 -82.95 -44.2 15.58 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.715 -173.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.76 7.95 58.53 Favored Glycine 0 N--CA 1.423 -2.182 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 -175.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 8.9 p -166.66 156.72 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -2.019 0 CA-C-N 115.114 -0.543 . . . . 0.0 110.582 -173.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.2 mt -149.52 137.47 20.43 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 124.787 1.235 . . . . 0.0 108.108 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.509 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 27.2 p -76.74 141.84 40.67 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -56.21 -41.87 76.29 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 121.442 0.639 . . . . 0.0 110.948 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.61 -16.45 61.24 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -174.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.5 pt-20 -88.86 -25.25 22.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 118.876 -1.13 . . . . 0.0 108.007 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.442 HG22 HD13 ' A' ' 19' ' ' LEU . 79.8 mt -68.82 -41.56 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 176.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.18 -28.6 67.41 Favored 'General case' 0 N--CA 1.432 -1.358 0 C-N-CA 124.395 1.078 . . . . 0.0 110.296 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -62.09 -48.3 80.79 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 124.764 1.226 . . . . 0.0 110.655 -174.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 8.8 mmt85 -73.39 -27.52 61.51 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.981 0.419 . . . . 0.0 110.95 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.6 mmt -83.18 -9.12 59.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.596 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.1 m -59.09 -29.88 67.68 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 122.581 0.352 . . . . 0.0 111.279 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 m -63.26 -32.9 74.42 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -93.75 -26.78 16.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.301 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 63.76 72.28 0.47 Allowed 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.856 0.862 . . . . 0.0 109.031 -173.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 36.1 mm -86.82 133.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.148 -175.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.91 151.47 46.67 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.768 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -60.52 -29.18 68.95 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.067 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.98 -53.52 57.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.44 0.696 . . . . 0.0 109.923 175.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.432 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 8.1 mt-30 -72.35 -32.09 66.18 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.253 -177.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.2 OUTLIER -62.83 -47.65 82.51 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.662 178.74 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.71 -42.23 88.2 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.146 0.578 . . . . 0.0 109.97 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.14 -43.4 95.76 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.399 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -68.45 -38.65 81.33 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.873 177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -61.99 -41.83 98.47 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.33 0.586 . . . . 0.0 111.196 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 30.2 tt0 -64.97 -42.11 94.85 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.436 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.443 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 40.3 t80 -57.2 -51.3 69.87 Favored 'General case' 0 N--CA 1.444 -0.739 0 O-C-N 123.659 0.599 . . . . 0.0 110.383 175.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 80.1 mt -57.57 -41.55 81.31 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.143 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.86 -38.24 95.02 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.7 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.6 mm-40 -63.33 -36.83 84.98 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 122.656 0.382 . . . . 0.0 111.921 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 63.4 mm-40 -77.97 -44.85 25.54 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -177.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.09 36.45 0.1 OUTLIER Glycine 0 C--N 1.304 -1.207 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.177 174.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.4 t -119.96 126.02 74.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 39.9 mt-10 -90.68 133.07 35.41 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -100.07 111.95 24.24 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.129 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.412 HG13 HG21 ' A' ' 30' ' ' THR . 33.8 pt . . . . . 0 C--N 1.304 -1.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.625 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.422 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.3 OUTLIER . . . . . 0 N--CA 1.427 -1.583 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.495 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 12.4 p -96.26 174.88 6.67 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -64.22 -37.17 86.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.888 1.328 . . . . 0.0 110.199 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.61 -42.27 98.64 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 112.014 -2.357 . . . . 0.0 110.483 174.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.495 ' HB2' ' H ' ' A' ' 11' ' ' THR . 16.4 mm100 -76.44 -35.04 58.71 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.909 -175.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 44.4 t -72.29 -40.0 64.58 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.623 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -55.84 -47.76 76.66 Favored 'General case' 0 N--CA 1.411 -2.408 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.25 53.7 mt-10 -65.15 -24.99 67.55 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.8 pt20 -70.93 -49.9 40.62 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.31 -41.39 96.86 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 113.574 -1.648 . . . . 0.0 111.549 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 8.5 m -60.59 -50.83 71.96 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.522 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.7 tp10 -60.4 -44.38 95.74 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 m -62.09 -49.31 76.44 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.429 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.66 -35.5 92.12 Favored Glycine 0 C--O 1.211 -1.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.301 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.5 mmmt -64.76 -31.32 72.49 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.816 0.362 . . . . 0.0 111.344 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.6 mtpp -74.53 -43.31 56.42 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.721 0.772 . . . . 0.0 110.213 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -78.27 -48.13 16.39 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.53 -173.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.54 9.37 47.1 Favored Glycine 0 N--CA 1.42 -2.411 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -173.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -164.94 156.75 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.723 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.23 -173.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 56.4 mt -152.65 135.22 15.26 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 125.07 1.348 . . . . 0.0 108.051 174.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.485 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 33.6 p -75.99 144.88 40.67 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 172.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -56.01 -37.31 68.97 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 121.664 0.745 . . . . 0.0 110.788 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.25 -28.69 63.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 30' ' ' THR . 12.9 pt-20 -79.22 -28.85 42.53 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 30' ' ' THR . 83.9 mt -66.15 -42.55 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.52 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.29 73.3 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 123.84 0.856 . . . . 0.0 110.719 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.76 -44.01 97.31 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.394 -172.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 mmt-85 -70.94 -25.45 62.74 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.665 0.745 . . . . 0.0 110.033 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.3 mmt -82.42 1.33 37.91 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.979 -175.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.8 p -71.71 -14.15 61.94 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 122.059 0.933 . . . . 0.0 109.757 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 m -67.13 -29.93 69.8 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.009 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -115.79 -172.1 2.1 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.935 0.894 . . . . 0.0 108.88 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.35 83.78 2.04 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.3 mm -95.9 125.21 48.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-O 122.139 0.971 . . . . 0.0 110.231 -176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -78.55 168.52 19.66 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.686 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -67.06 -34.33 77.43 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -71.99 -36.74 69.86 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-O 121.756 0.788 . . . . 0.0 109.508 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -64.6 -45.07 88.5 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 114.084 -1.416 . . . . 0.0 109.236 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.1 mmt -63.57 -47.48 81.32 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.963 176.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.454 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 35.5 t70 -63.07 -38.25 90.43 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.3 -36.57 84.54 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.433 ' CE2' HD12 ' A' ' 55' ' ' LEU . 23.6 t80 -69.09 -37.03 78.21 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.454 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 22.9 m-85 -61.84 -42.47 99.08 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.22 0.533 . . . . 0.0 110.465 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.1 tp10 -64.08 -45.74 87.38 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.292 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.463 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 49.4 t80 -55.59 -51.14 68.13 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.247 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD12 ' CE2' ' A' ' 51' ' ' TYR . 82.3 mt -57.14 -42.03 80.21 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.237 0.542 . . . . 0.0 111.582 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.88 99.28 Favored Glycine 0 CA--C 1.503 -0.658 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.104 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 42.9 mt-10 -63.26 -35.05 79.04 Favored 'General case' 0 N--CA 1.427 -1.603 0 C-N-CA 122.676 0.391 . . . . 0.0 110.996 178.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 24.2 mm-40 -78.17 -48.93 14.81 Favored 'General case' 0 C--N 1.346 0.434 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.55 54.86 0.04 OUTLIER Glycine 0 C--N 1.301 -1.401 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.819 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.8 t -138.33 131.52 40.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -93.02 130.48 38.59 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -95.97 103.43 15.32 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.506 178.817 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.414 HG13 HG21 ' A' ' 30' ' ' THR . 32.2 pt . . . . . 0 C--N 1.295 -1.771 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.993 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.424 -1.729 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.637 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 8.0 p -100.98 178.22 4.73 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.78 -37.85 88.3 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.845 1.307 . . . . 0.0 110.851 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -62.31 -42.34 99.29 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 112.398 -2.183 . . . . 0.0 109.878 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.637 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 12.0 mm100 -75.97 -34.83 59.81 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.421 -171.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.559 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 54.9 t -71.02 -42.08 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -55.84 -47.62 76.95 Favored 'General case' 0 N--CA 1.418 -2.03 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.939 172.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.53 -29.98 70.35 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 1.9 pt20 -69.97 -49.59 50.15 Favored 'General case' 0 CA--C 1.481 -1.694 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -178.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' ' 29' ' ' LEU . 33.1 mt -66.34 -41.26 89.83 Favored 'General case' 0 N--CA 1.404 -2.766 0 CA-C-N 113.55 -1.659 . . . . 0.0 112.008 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.525 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 23.5 m -58.37 -55.6 32.98 Favored 'General case' 0 CA--C 1.501 -0.925 0 O-C-N 123.847 0.717 . . . . 0.0 109.347 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 36.2 tt0 -64.1 -41.79 97.15 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.909 -174.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.531 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 54.4 m -61.32 -48.19 82.48 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.155 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.48 89.77 Favored Glycine 0 C--O 1.206 -1.622 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 20' ' ' THR . 28.1 mmmt -63.94 -35.07 79.48 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 122.665 0.386 . . . . 0.0 111.53 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.4 mtpp -73.93 -47.71 35.83 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.733 0.778 . . . . 0.0 109.693 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.531 ' HG3' ' O ' ' A' ' 22' ' ' SER . 70.4 mtp180 -76.06 -47.0 26.36 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.339 -172.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.05 3.2 51.68 Favored Glycine 0 N--CA 1.425 -2.094 0 CA-C-N 113.472 -1.695 . . . . 0.0 109.072 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.9 p -160.99 157.16 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.898 0 CA-C-N 115.067 -0.566 . . . . 0.0 110.993 -172.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 19' ' ' LEU . 67.1 mt -152.1 132.02 13.35 Favored 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 124.632 1.173 . . . . 0.0 108.461 174.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.426 ' O ' HG13 ' A' ' 34' ' ' ILE . 22.5 p -72.16 141.88 49.1 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 118.429 0.559 . . . . 0.0 110.735 173.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -53.15 -33.35 52.12 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 122.788 0.435 . . . . 0.0 111.563 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.24 -41.08 74.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.356 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.8 pt-20 -74.99 -25.58 58.94 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.798 0.808 . . . . 0.0 109.525 -175.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 30' ' ' THR . 73.4 mt -69.68 -40.78 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.124 176.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -35.25 77.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.725 0.81 . . . . 0.0 110.298 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.77 -51.48 68.74 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.87 1.268 . . . . 0.0 112.034 -175.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -70.44 -29.39 65.96 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.731 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 mmt -82.54 -5.0 58.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.2 p -78.73 -2.08 37.65 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.575 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -72.08 -26.2 62.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 171.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.456 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.4 m-85 -112.52 -170.39 1.66 Allowed 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -114.48 75.98 0.96 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.456 HG12 ' HB2' ' A' ' 41' ' ' PHE . 29.4 mm -105.67 113.47 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.196 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -79.58 164.84 23.52 Favored 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 114.218 -1.356 . . . . 0.0 110.925 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 p -58.87 -32.02 69.09 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.043 0.937 . . . . 0.0 109.982 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.54 -49.61 72.19 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 125.256 1.422 . . . . 0.0 109.854 177.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -77.45 -37.75 50.86 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.057 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -56.14 -41.38 75.27 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.355 177.341 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . 0.41 ' HA ' ' CD1' ' A' ' 52' ' ' TYR . 19.4 t70 -58.64 -38.41 78.01 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 124.442 1.097 . . . . 0.0 110.945 178.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.3 -39.4 89.32 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.39 -0.823 . . . . 0.0 108.893 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.421 ' CE2' HD12 ' A' ' 55' ' ' LEU . 25.2 t80 -70.2 -34.34 72.81 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.755 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 48' ' ' MET . 22.8 m-85 -62.19 -38.99 91.21 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.196 0.522 . . . . 0.0 110.946 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.01 -47.85 81.34 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.407 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 49.9 t80 -54.27 -52.8 60.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.956 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.5 mt -58.02 -43.39 86.69 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.371 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.66 96.87 Favored Glycine 0 CA--C 1.51 -0.278 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.236 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.72 -33.67 76.15 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 76.6 mm-40 -80.54 -46.88 15.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.01 -178.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.9 47.1 0.04 OUTLIER Glycine 0 C--N 1.308 -1.015 0 C-N-CA 119.96 -1.114 . . . . 0.0 112.766 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.7 t -136.87 124.03 31.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 42.5 mt-10 -91.31 131.15 37.0 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 174.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.422 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -94.19 109.11 20.92 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.215 -178.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 30' ' ' THR . 23.2 pt . . . . . 0 CA--C 1.459 -2.529 0 CA-C-O 122.918 1.342 . . . . 0.0 114.075 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 CA-C-O 120.526 0.203 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -86.25 101.89 13.45 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -49.08 151.87 1.23 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -170.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.462 ' HB3' ' HG3' ' A' ' 14' ' ' GLN . 11.2 pt20 -86.7 173.83 9.23 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 p -87.11 174.36 8.69 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.845 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -73.3 -23.29 60.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.166 0.508 . . . . 0.0 109.927 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.4 5.54 14.7 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 m 73.71 15.47 4.01 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 124.795 1.238 . . . . 0.0 110.883 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -83.5 119.71 25.02 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -100.67 171.73 7.52 Favored 'General case' 0 C--N 1.277 -2.556 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.394 -171.021 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.491 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 70.1 p -101.31 175.73 5.48 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -59.47 -37.71 78.91 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.959 1.362 . . . . 0.0 109.868 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 30.8 t70 -64.64 -41.1 96.37 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 112.059 -2.337 . . . . 0.0 112.347 175.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.517 ' CB ' ' HB3' ' A' ' 10' ' ' LEU . 27.7 mm-40 -74.76 -34.17 62.44 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 121.392 0.615 . . . . 0.0 110.383 -175.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.525 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 66.0 t -71.04 -39.81 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.092 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 8.3 mtmp? -55.97 -49.47 73.47 Favored 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.516 172.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -62.22 -28.94 70.04 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.7 pt20 -70.47 -52.54 21.36 Favored 'General case' 0 C--N 1.371 1.532 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.472 ' O ' HD11 ' A' ' 29' ' ' LEU . 35.0 mt -64.53 -35.14 80.01 Favored 'General case' 0 N--CA 1.41 -2.466 0 CA-C-N 113.493 -1.685 . . . . 0.0 111.429 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 12.6 m -59.39 -51.77 68.5 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.003 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.8 -42.63 97.68 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.319 0.58 . . . . 0.0 110.485 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.1 m -60.55 -48.51 81.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.067 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.98 92.77 Favored Glycine 0 C--O 1.209 -1.448 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.031 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.7 mmmt -65.1 -33.34 75.8 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 122.656 0.382 . . . . 0.0 112.005 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.13 -40.92 59.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.706 0.765 . . . . 0.0 110.943 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -83.27 -46.48 12.6 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.457 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.92 9.88 50.96 Favored Glycine 0 N--CA 1.427 -1.955 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 -174.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.475 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.6 p -164.68 156.92 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.686 0 CA-C-N 115.098 -0.551 . . . . 0.0 110.815 -173.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.472 HD11 ' O ' ' A' ' 19' ' ' LEU . 58.8 mt -153.04 132.48 12.9 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 124.951 1.3 . . . . 0.0 108.633 174.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 40.7 p -73.9 145.96 44.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -58.66 -39.47 80.69 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -77.92 -22.42 49.67 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 119.07 -1.052 . . . . 0.0 112.862 -173.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.3 pt-20 -77.18 -24.95 51.41 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.43 ' O ' ' HG2' ' A' ' 38' ' ' MET . 93.4 mt -73.23 -43.53 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.356 175.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.77 69.64 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.543 1.137 . . . . 0.0 110.917 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.27 -53.4 58.56 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 125.698 1.599 . . . . 0.0 110.61 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -72.66 -26.64 61.71 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.809 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.43 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.3 mmt -82.74 -2.57 54.69 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.987 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -73.69 -11.99 60.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.946 0.879 . . . . 0.0 109.28 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.8 m -75.03 -22.17 58.6 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.818 0.818 . . . . 0.0 109.374 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -113.95 -173.83 2.35 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.202 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -115.24 87.3 2.63 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mm -115.67 116.81 53.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 CA-C-O 121.316 0.579 . . . . 0.0 110.447 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.53 165.31 24.49 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.999 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 p -58.47 -35.85 72.81 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 124.359 1.064 . . . . 0.0 111.075 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.43 -45.11 89.14 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.456 0.702 . . . . 0.0 110.81 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -74.13 -38.64 63.72 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.443 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -58.28 -42.56 86.84 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.005 176.197 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -53.71 -45.69 70.52 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.404 1.082 . . . . 0.0 110.531 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.06 -41.35 87.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.336 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.415 ' CE2' HD11 ' A' ' 55' ' ' LEU . 20.1 t80 -70.12 -38.17 75.5 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.325 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -62.55 -41.28 98.8 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 121.347 0.594 . . . . 0.0 110.585 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -62.67 -46.05 89.98 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.939 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.633 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 36.2 t80 -54.89 -54.55 41.07 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.396 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 85.5 mt -57.13 -45.21 83.71 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.08 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.9 -42.69 94.87 Favored Glycine 0 CA--C 1.504 -0.621 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.313 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.59 -29.37 68.71 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.633 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 66.6 mm-40 -80.0 -44.21 20.6 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.98 45.15 0.05 OUTLIER Glycine 0 C--N 1.3 -1.431 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.066 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.417 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 24.0 t -131.62 125.13 55.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 44.5 mt-10 -90.74 131.99 36.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.446 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -97.05 109.03 21.87 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.628 179.402 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.5 pt -91.02 174.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.449 ' O ' ' HB ' ' A' ' 30' ' ' THR . 7.9 t -74.17 -82.32 0.06 Allowed 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.319 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 167.81 -31.0 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.183 0 C-N-CA 126.722 2.009 . . . . 0.0 106.593 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -68.46 -3.37 11.18 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.085 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.439 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 13.5 pt-20 -139.76 147.51 40.93 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 44.3 tt0 162.95 123.95 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.603 0 O-C-N 125.554 1.784 . . . . 0.0 109.194 176.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 t -171.55 -11.87 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -65.47 -25.69 67.6 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.14 0.971 . . . . 0.0 110.498 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -113.04 -0.53 14.7 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.879 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.4 mt -84.77 70.31 10.81 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 122.078 0.942 . . . . 0.0 112.72 -176.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -130.22 6.26 4.92 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.156 -1.384 . . . . 0.0 107.518 173.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -122.47 136.39 54.88 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.941 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -79.39 -46.62 17.23 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 171.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 . . . . . 0 N--CA 1.437 -1.079 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 174.151 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 4' ' ' GLN . . . . . . . . 0 CA--C 1.515 -0.393 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -86.21 -47.94 9.0 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.099 0.476 . . . . 0.0 111.069 -175.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -104.04 -31.34 9.74 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.395 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.583 ' O ' ' HB3' ' A' ' 1' ' ' ALA . 19.7 tp60 -102.11 145.43 29.36 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -69.02 142.3 54.63 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 171.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -75.33 124.49 27.2 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 75.37 78.96 0.1 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.174 1.389 . . . . 0.0 110.45 -176.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.7 m -164.25 174.12 11.53 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 101.641 -3.466 . . . . 0.0 101.641 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.59 133.27 42.23 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 120.755 1.616 . . . . 0.0 107.913 172.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -134.17 171.0 14.84 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 119.814 -0.755 . . . . 0.0 111.139 -176.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.601 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 20.8 p -101.13 179.47 4.36 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -60.19 -39.99 88.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 123.048 1.404 . . . . 0.0 111.064 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.93 -34.22 77.3 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 112.364 -2.198 . . . . 0.0 113.064 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.601 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 11.6 mm100 -77.95 -36.39 49.29 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.369 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.536 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 48.3 t -71.81 -36.82 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.719 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.713 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -54.41 -46.82 73.22 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 172.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.3 -27.07 69.08 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.0 pt20 -72.05 -49.28 37.96 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 29' ' ' LEU . 65.9 mt -66.67 -40.27 88.52 Favored 'General case' 0 N--CA 1.415 -2.186 0 CA-C-N 113.135 -1.848 . . . . 0.0 111.482 -176.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.488 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 15.8 m -58.5 -49.63 76.68 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 124.163 0.914 . . . . 0.0 109.603 177.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 35.9 tt0 -61.92 -43.19 99.36 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.939 -177.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 m -63.73 -45.84 88.09 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.466 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.31 -32.91 85.76 Favored Glycine 0 C--O 1.208 -1.486 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.806 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.488 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.7 mmmt -65.38 -31.6 72.8 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 91.9 mttt -74.85 -42.26 58.29 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.848 0.832 . . . . 0.0 110.011 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -84.44 -49.72 8.41 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 122.54 1.162 . . . . 0.0 112.663 -173.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.93 8.89 41.2 Favored Glycine 0 N--CA 1.425 -2.056 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 -173.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.605 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.7 p -164.15 157.22 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.61 0 CA-C-N 115.23 -0.485 . . . . 0.0 110.427 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 19' ' ' LEU . 62.9 mt -151.06 142.05 23.01 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 124.694 1.198 . . . . 0.0 108.603 175.6 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 20.5 p -76.08 143.93 41.02 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 118.246 0.475 . . . . 0.0 110.015 171.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 38.2 m-85 -57.96 -35.36 71.05 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.89 0.376 . . . . 0.0 110.418 176.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.83 -33.41 66.16 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -174.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -74.35 -29.89 61.77 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 119.229 -0.989 . . . . 0.0 108.593 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.416 HG23 HD13 ' A' ' 19' ' ' LEU . 87.7 mt -67.71 -42.53 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.805 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.187 176.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -33.91 76.45 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 123.725 0.81 . . . . 0.0 110.551 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.97 -55.29 36.78 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.52 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -69.74 -27.42 64.94 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.366 0.603 . . . . 0.0 110.053 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.401 ' HE3' HD11 ' A' ' 19' ' ' LEU . 23.8 mmt -83.24 -0.37 49.16 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.074 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.8 t -80.47 -15.8 55.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.4 t -70.26 -23.99 62.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -104.06 -36.15 7.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.549 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 79.13 72.6 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 126.098 1.759 . . . . 0.0 109.714 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.4 mm -101.36 130.85 50.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.756 -1.565 . . . . 0.0 108.793 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.22 162.17 25.88 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.738 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 t -62.02 -25.69 67.8 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 120.802 0.334 . . . . 0.0 110.821 -176.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.75 -49.11 77.66 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.4 0.68 . . . . 0.0 110.157 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -79.08 -29.54 43.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.361 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.5 OUTLIER -61.36 -39.84 92.09 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.105 177.276 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.26 -39.88 76.51 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.462 0.705 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.12 -30.74 68.0 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.642 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -71.1 -35.79 71.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.08 -39.48 92.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.905 0.384 . . . . 0.0 110.985 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 38.0 tt0 -63.34 -45.9 89.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.511 175.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 44.9 t80 -55.53 -49.96 71.26 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.321 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.7 mt -57.11 -42.4 80.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.374 178.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.63 -40.65 99.04 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.782 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 52.0 mt-10 -65.2 -32.59 74.34 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 120.875 0.369 . . . . 0.0 111.709 178.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 28.2 mm-40 -77.93 -42.33 33.41 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.06 49.4 0.08 OUTLIER Glycine 0 C--N 1.308 -1.005 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.564 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.463 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 22.0 t -130.78 130.31 64.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.605 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 43.3 mt-10 -94.64 143.86 26.09 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 173.107 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.71 119.67 39.95 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 119.454 -0.899 . . . . 0.0 111.363 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 9.4 pt -93.32 174.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 175.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.42 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 45.9 t -79.04 -82.01 0.1 Allowed 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.474 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 161.97 -35.42 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 104.254 -2.499 . . . . 0.0 104.254 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -72.79 -0.12 12.45 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.002 -1.453 . . . . 0.0 108.785 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -146.46 151.36 37.27 Favored 'General case' 0 N--CA 1.418 -2.062 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.92 138.36 0.12 Allowed 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -150.56 72.61 1.1 Allowed 'General case' 0 N--CA 1.403 -2.811 0 CA-C-O 122.906 1.336 . . . . 0.0 111.162 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.69 -31.08 0.74 Allowed 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 113.767 -1.56 . . . . 0.0 108.817 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -107.94 2.73 23.52 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 121.407 0.622 . . . . 0.0 111.177 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.84 -29.93 69.19 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -86.34 -6.56 58.92 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.587 0.708 . . . . 0.0 110.662 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -99.09 104.96 17.01 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -97.52 -57.59 2.21 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 . . . . . 0 C--N 1.314 -0.956 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 178.581 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.503 0 CA-C-O 120.364 0.126 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.473 ' OD2' ' HG2' ' A' ' 3' ' ' LYS . 11.4 t70 178.71 -52.14 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HG2' ' OD2' ' A' ' 2' ' ' ASP . 41.6 mmtm -139.13 170.79 15.32 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 175.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -64.43 127.13 30.16 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 123.831 0.707 . . . . 0.0 110.508 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 p -107.93 -6.13 16.8 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.039 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -136.46 129.52 31.23 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 62.55 -175.14 0.14 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.9 p -104.26 12.55 33.54 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.668 0.747 . . . . 0.0 111.7 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -126.04 135.11 51.4 Favored 'General case' 0 N--CA 1.419 -2.01 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.492 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -99.19 172.1 7.58 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -170.543 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.427 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 64.6 p -98.88 177.44 5.27 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -60.93 -39.3 88.93 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 122.456 1.122 . . . . 0.0 110.457 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.408 ' HA ' ' CE ' ' A' ' 16' ' ' LYS . 57.7 m-20 -64.69 -40.11 94.82 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 112.76 -2.018 . . . . 0.0 112.543 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.492 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 19.8 mm-40 -74.87 -35.21 62.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.33 0.586 . . . . 0.0 110.177 -176.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.558 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 78.1 t -71.25 -39.93 73.48 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.294 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.332 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.408 ' CE ' ' HA ' ' A' ' 13' ' ' ASP . 46.6 mtmt -56.46 -47.18 79.71 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.78 -26.19 68.52 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.558 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.3 pt20 -70.75 -48.69 53.1 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-O 122.732 1.253 . . . . 0.0 107.995 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' O ' HD11 ' A' ' 29' ' ' LEU . 49.4 mt -67.25 -41.78 85.02 Favored 'General case' 0 N--CA 1.407 -2.582 0 CA-C-N 112.899 -1.955 . . . . 0.0 111.964 -177.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.432 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 21.1 m -57.86 -53.13 61.73 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 124.007 0.817 . . . . 0.0 110.432 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.0 tt0 -64.06 -40.2 95.76 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 123.667 0.605 . . . . 0.0 111.074 -174.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.458 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 59.4 m -62.54 -43.95 97.54 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.305 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.76 -35.25 89.44 Favored Glycine 0 C--O 1.211 -1.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.813 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 20' ' ' THR . 25.7 mmmt -63.05 -36.4 83.45 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 124.033 0.49 . . . . 0.0 111.337 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.6 mtpp -75.45 -40.94 56.88 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 121.499 0.666 . . . . 0.0 110.902 -178.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.458 ' HG3' ' O ' ' A' ' 22' ' ' SER . 91.7 mtt180 -80.17 -50.46 10.25 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 122.307 1.051 . . . . 0.0 111.004 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.1 1.12 30.0 Favored Glycine 0 N--CA 1.419 -2.461 0 CA-C-N 113.496 -1.684 . . . . 0.0 109.264 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -162.25 155.3 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 CA-C-O 120.697 0.284 . . . . 0.0 110.996 -174.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.464 HD11 ' O ' ' A' ' 19' ' ' LEU . 50.2 mt -142.06 147.97 37.67 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.497 1.119 . . . . 0.0 109.009 175.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.411 ' HB ' ' O ' ' A' ' 64' ' ' SER . 43.5 p -79.25 151.36 31.21 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 171.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -64.73 -37.82 88.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.587 0.708 . . . . 0.0 109.848 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.77 -27.46 55.31 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -172.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.44 -30.65 64.78 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.45 ' O ' ' HG2' ' A' ' 38' ' ' MET . 92.3 mt -67.89 -41.38 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.803 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.0 84.08 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 124.138 0.975 . . . . 0.0 110.247 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.67 -44.2 93.68 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.023 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mmt-85 -69.46 -31.28 69.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 122.164 -0.335 . . . . 0.0 111.032 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -82.81 1.28 39.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.465 -176.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -74.5 -11.89 60.34 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.05 0.452 . . . . 0.0 111.202 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.0 p -80.14 -27.43 39.08 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.819 0.819 . . . . 0.0 109.473 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -98.54 -168.12 1.6 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.669 -1.151 . . . . 0.0 107.936 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -124.66 81.4 1.94 Allowed 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 32.1 mm -107.02 116.87 51.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.81 0.814 . . . . 0.0 111.087 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -78.41 161.56 27.06 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.205 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.7 m -57.2 -32.43 66.47 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 123.583 0.753 . . . . 0.0 112.696 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.89 -41.94 86.35 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.239 0.542 . . . . 0.0 109.936 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -67.23 -39.63 86.24 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.039 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.438 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -64.47 -43.62 93.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.473 177.211 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.17 -44.75 79.64 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.102 0.561 . . . . 0.0 110.796 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -61.08 -38.34 85.9 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.549 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -69.92 -39.92 75.86 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.759 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -61.18 -44.56 97.11 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 121.132 0.491 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.91 -40.05 91.12 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.07 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.494 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 38.9 t80 -56.75 -49.63 74.67 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.165 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.473 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.0 mt -57.72 -45.67 85.44 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.48 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.7 -42.4 91.12 Favored Glycine 0 CA--C 1.507 -0.439 0 CA-C-N 114.308 -1.314 . . . . 0.0 111.261 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -64.88 -34.48 78.48 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.494 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 75.2 mm-40 -79.85 -38.92 31.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.402 -178.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.87 40.35 0.1 OUTLIER Glycine 0 C--N 1.301 -1.383 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.17 172.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.473 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 41.8 t -126.49 127.27 70.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -90.24 166.08 13.55 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 58.3 mt -125.07 115.75 21.0 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.134 0.492 . . . . 0.0 111.832 -174.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 16.0 pt -101.46 176.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.619 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . 7.7 t -79.22 -75.23 0.25 Allowed 'General case' 0 N--CA 1.425 -1.692 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.879 -175.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' ' 64' ' ' SER . 1.1 tm-20 163.17 -19.28 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.719 2.008 . . . . 0.0 107.407 -176.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -83.59 -11.72 56.97 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 122.498 1.142 . . . . 0.0 109.685 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.619 ' OE2' ' HB3' ' A' ' 64' ' ' SER . 0.8 OUTLIER -129.14 163.43 25.52 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 113.657 -1.611 . . . . 0.0 107.732 179.478 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.522 ' HG2' ' H ' ' A' ' 69' ' ' THR . 7.6 tt0 163.78 -162.1 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 102.534 -3.136 . . . . 0.0 102.534 176.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.522 ' H ' ' HG2' ' A' ' 68' ' ' GLU . 21.2 p -99.14 20.84 12.71 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 122.06 0.933 . . . . 0.0 108.952 175.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -17.73 61.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -175.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -88.5 -14.03 38.78 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 122.489 1.138 . . . . 0.0 109.545 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.5 mt -93.74 -15.05 25.6 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 113.974 -1.467 . . . . 0.0 109.064 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -76.41 121.32 22.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.122 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -134.37 90.59 2.69 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -170.14 154.78 5.14 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.6 m170 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 124.315 1.046 . . . . 0.0 110.009 -177.43 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.626 ' HA ' ' OE1' ' A' ' 4' ' ' GLN . . . . . . . . 0 C--O 1.239 0.541 0 CA-C-O 120.942 0.401 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -135.96 -32.78 0.87 Allowed 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.153 0.502 . . . . 0.0 110.842 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -86.93 -8.08 57.58 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.74 0.781 . . . . 0.0 110.252 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.626 ' OE1' ' HA ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -133.16 134.39 44.09 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.896 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 p -131.59 -174.9 3.54 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -79.61 -4.91 53.7 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.886 0.851 . . . . 0.0 109.627 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -97.5 16.11 21.24 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.136 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -132.98 147.2 52.28 Favored 'General case' 0 N--CA 1.408 -2.531 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.02 111.31 20.17 Favored 'General case' 0 C--N 1.28 -2.416 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 167.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.573 HD11 ' H ' ' A' ' 10' ' ' LEU . 0.2 OUTLIER -89.42 -174.94 4.56 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.894 -169.698 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.658 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 14.6 p -100.93 172.54 6.97 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -62.39 -36.32 81.96 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.217 1.008 . . . . 0.0 110.618 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.85 -40.62 95.45 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.659 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.658 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 11.1 mm100 -71.73 -37.44 70.61 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -174.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.548 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 65.8 t -72.82 -37.28 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 CA-C-N 114.66 -1.154 . . . . 0.0 108.961 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -55.47 -49.58 72.11 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.167 172.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.73 -27.31 69.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.3 pt20 -71.54 -49.78 37.46 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD11 HG22 ' A' ' 34' ' ' ILE . 24.9 mt -67.48 -39.84 85.25 Favored 'General case' 0 N--CA 1.408 -2.529 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.555 -178.129 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.42 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 18.3 m -57.95 -51.95 67.51 Favored 'General case' 0 C--N 1.315 -0.922 0 O-C-N 123.723 0.64 . . . . 0.0 109.734 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.633 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 35.1 tt0 -63.32 -40.92 98.66 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.473 0.654 . . . . 0.0 110.592 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 m -64.13 -41.34 97.25 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.161 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.52 -34.87 85.5 Favored Glycine 0 C--O 1.199 -2.087 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 28.4 mmmt -66.58 -29.23 69.24 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.633 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 29.2 mtpp -75.69 -37.93 59.08 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.431 0.634 . . . . 0.0 110.514 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -86.98 -47.17 9.18 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 114.975 -1.011 . . . . 0.0 113.046 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.49 -0.05 46.51 Favored Glycine 0 N--CA 1.422 -2.267 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -172.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.1 p -157.54 159.23 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 0 CA-C-N 115.291 -0.455 . . . . 0.0 111.004 -172.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 59.7 mt -153.4 139.24 18.04 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 125.071 1.348 . . . . 0.0 107.982 174.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.47 HG21 HG13 ' A' ' 63' ' ' ILE . 48.1 p -79.77 147.29 31.91 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -55.3 -41.65 72.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -85.62 -11.94 52.67 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -172.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.2 pt-20 -80.49 -27.91 37.66 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.433 HG22 HD11 ' A' ' 19' ' ' LEU . 84.6 mt -69.09 -41.94 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 CA-C-N 114.036 -1.438 . . . . 0.0 108.255 175.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.75 -31.16 70.89 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 124.417 1.087 . . . . 0.0 110.617 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.63 -50.53 72.2 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 124.306 1.043 . . . . 0.0 109.243 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -68.34 -32.31 72.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.865 0.84 . . . . 0.0 108.79 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.417 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 22.6 mmt -81.67 1.24 35.06 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.63 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.1 m -76.39 -16.1 59.79 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -68.98 -33.98 74.56 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.407 ' HB2' HG12 ' A' ' 43' ' ' ILE . 38.3 m-85 -98.39 -19.52 17.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.537 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 57.47 62.51 2.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.489 1.137 . . . . 0.0 110.061 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.512 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 39.5 mm -72.47 140.09 18.57 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.135 -175.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -73.05 156.13 39.08 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.037 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.7 t -58.6 -31.39 68.01 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.054 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.91 -57.15 14.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.301 1.04 . . . . 0.0 109.857 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.512 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 9.1 mt-30 -67.22 -33.06 74.57 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.854 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.534 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.4 mmt -64.41 -47.87 77.54 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.21 -43.59 87.74 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.772 0.829 . . . . 0.0 110.421 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -55.9 -46.95 78.23 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.996 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.401 ' CE1' HD12 ' A' ' 55' ' ' LEU . 21.2 t80 -69.24 -34.81 75.39 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.722 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -62.47 -43.53 98.6 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.887 0.375 . . . . 0.0 111.12 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.4 tp10 -64.11 -40.28 95.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.458 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 51.9 t80 -58.94 -51.44 70.05 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.398 177.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.404 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 80.9 mt -58.16 -42.62 86.37 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.147 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.52 -42.48 95.97 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.552 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 46.2 mt-10 -66.03 -30.5 71.05 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.458 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 26.9 mm-40 -75.75 -47.3 26.53 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.47 54.52 0.06 OUTLIER Glycine 0 C--N 1.301 -1.396 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.9 t -139.51 126.01 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -176.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -96.54 128.69 43.72 Favored 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.494 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mm? -92.08 103.76 16.22 Favored 'General case' 0 C--N 1.266 -3.061 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.125 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.47 HG13 HG21 ' A' ' 30' ' ' THR . 31.0 pt -87.86 165.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-O 121.544 0.688 . . . . 0.0 111.853 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 t -98.0 18.9 14.93 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.495 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 74.89 -33.7 0.25 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.228 1.011 . . . . 0.0 112.991 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -74.93 -27.6 60.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.082 0.944 . . . . 0.0 110.811 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -97.11 -170.94 2.11 Favored 'General case' 0 C--N 1.27 -2.887 0 CA-C-N 114.496 -1.229 . . . . 0.0 111.015 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 74.53 166.25 0.29 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.933 1.693 . . . . 0.0 111.344 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.7 p -87.15 1.62 52.45 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.573 0.701 . . . . 0.0 111.928 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.16 8.21 5.21 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -69.05 -26.49 65.0 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 122.624 1.202 . . . . 0.0 109.02 174.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.9 mt -91.28 3.65 54.32 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 113.282 -1.781 . . . . 0.0 110.041 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -128.89 -178.11 4.48 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.437 -176.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -138.36 130.35 28.38 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -132.63 119.81 20.93 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 . . . . . 0 C--N 1.286 -2.177 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -177.617 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.926 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' CG ' ' H ' ' A' ' 3' ' ' LYS . 18.3 t70 -106.81 -155.75 0.56 Allowed 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.423 ' H ' ' CG ' ' A' ' 2' ' ' ASP . 16.3 ptpt -85.47 4.06 37.44 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.906 0.86 . . . . 0.0 110.053 -178.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -86.41 17.07 3.98 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.731 -178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.9 p -87.45 12.83 11.26 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 122.276 1.036 . . . . 0.0 111.251 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -106.19 -176.23 3.02 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -80.81 90.06 5.84 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.2 m -149.17 153.98 38.48 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.75 117.91 5.97 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.467 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -105.04 177.32 4.88 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.777 -171.759 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.51 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 76.1 p -101.17 176.28 5.31 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.339 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.5 t80 -61.9 -39.5 92.19 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 122.561 1.172 . . . . 0.0 110.768 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.418 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 4.1 m-20 -65.34 -36.58 84.47 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.04 -1.891 . . . . 0.0 112.801 175.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.51 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 26.6 mm-40 -75.18 -35.72 61.54 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-O 121.152 0.501 . . . . 0.0 110.304 -177.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 47.9 t -71.07 -39.51 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.519 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -178.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' CE ' ' HA ' ' A' ' 13' ' ' ASP . 41.9 mtmt -55.09 -52.11 64.26 Favored 'General case' 0 N--CA 1.42 -1.952 0 O-C-N 123.804 0.69 . . . . 0.0 109.449 171.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 13' ' ' ASP . 45.2 mt-10 -62.67 -26.08 68.47 Favored 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -69.05 -57.07 5.92 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.428 ' O ' HD11 ' A' ' 29' ' ' LEU . 20.3 mt -63.78 -37.68 88.27 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 113.265 -1.789 . . . . 0.0 111.603 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.447 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 12.2 m -60.76 -51.33 69.78 Favored 'General case' 0 N--CA 1.423 -1.785 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.323 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 11.8 tp10 -59.7 -46.02 90.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.499 0.666 . . . . 0.0 110.179 -175.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 m -66.35 -45.33 80.57 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.828 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.13 91.62 Favored Glycine 0 C--O 1.205 -1.684 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.1 mmmt -63.91 -34.02 77.01 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.098 -0.551 . . . . 0.0 111.867 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 57.9 mtpt -76.73 -40.71 47.71 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.664 0.745 . . . . 0.0 110.175 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -75.89 -48.41 21.46 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.132 -176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.24 -0.68 47.1 Favored Glycine 0 N--CA 1.42 -2.381 0 CA-C-N 113.165 -1.834 . . . . 0.0 108.588 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.7 p -158.79 158.52 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.185 0 CA-C-N 115.34 -0.43 . . . . 0.0 110.833 -172.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.428 HD11 ' O ' ' A' ' 19' ' ' LEU . 46.7 mt -148.57 136.97 21.25 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 124.62 1.168 . . . . 0.0 108.77 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.458 ' O ' HG13 ' A' ' 34' ' ' ILE . 27.4 p -75.68 140.19 42.36 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 118.18 0.446 . . . . 0.0 110.874 173.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -50.02 -39.95 43.17 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.2 -29.88 60.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.069 -0.652 . . . . 0.0 112.542 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.6 pt-20 -75.71 -28.98 58.81 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 119.186 -1.006 . . . . 0.0 108.297 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 30' ' ' THR . 71.8 mt -65.31 -44.16 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.734 175.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.91 69.28 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 123.821 0.848 . . . . 0.0 110.939 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.57 -54.29 47.24 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 124.422 1.089 . . . . 0.0 111.349 -173.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -70.0 -25.99 63.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.615 0.721 . . . . 0.0 109.399 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.483 ' SD ' HD11 ' A' ' 43' ' ' ILE . 22.5 mmt -85.06 -6.57 59.31 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.852 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.7 m -67.64 -14.04 62.6 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.8 t -75.63 -33.18 60.49 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -89.23 -43.64 10.84 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.647 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 62.29 78.81 0.28 Allowed 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.826 1.298 . . . . 0.0 108.544 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.496 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 29.7 mt -86.42 155.79 3.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 113.435 -1.712 . . . . 0.0 110.446 -171.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.08 155.54 39.35 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 173.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -61.05 -30.32 70.25 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.296 0.569 . . . . 0.0 109.63 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.62 -54.69 34.05 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 124.628 1.171 . . . . 0.0 110.934 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.496 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 5.3 mt-30 -70.62 -31.08 67.91 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.837 -176.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.427 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 1.0 OUTLIER -62.61 -50.6 70.63 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.657 179.419 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -64.71 -38.11 89.86 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.594 0.559 . . . . 0.0 109.925 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.97 -43.39 91.36 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 115.338 -0.847 . . . . 0.0 108.864 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -69.79 -38.7 76.77 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.828 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.58 -44.36 97.17 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.238 0.542 . . . . 0.0 110.734 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.12 -40.01 93.9 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.526 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.537 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 43.0 t80 -58.76 -51.14 71.25 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.26 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.442 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.7 mt -57.24 -41.72 80.09 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.047 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.63 -40.12 97.48 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.589 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.98 -35.69 81.99 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 26.1 mm-40 -76.25 -48.42 20.32 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -175.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.06 44.08 0.05 OUTLIER Glycine 0 C--N 1.305 -1.161 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.624 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.442 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.9 t -129.71 131.68 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -93.81 138.46 31.95 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -99.74 110.24 22.64 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.598 178.154 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.2 pt -93.06 166.31 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.427 0 CA-C-O 122.625 1.203 . . . . 0.0 113.864 -178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.498 ' HB2' ' OE2' ' A' ' 67' ' ' GLU . 2.4 m -98.49 26.58 5.39 Favored 'General case' 0 N--CA 1.403 -2.797 0 CA-C-N 112.615 -2.084 . . . . 0.0 114.765 -175.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 32.7 tt0 71.4 -52.4 0.69 Allowed 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 170.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -65.13 -22.26 66.91 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 122.072 0.939 . . . . 0.0 110.899 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.498 ' OE2' ' HB2' ' A' ' 64' ' ' SER . 13.3 pt-20 -99.8 -172.04 2.16 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.547 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 76.38 144.98 0.08 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.824 1.65 . . . . 0.0 112.469 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.2 p -104.46 -15.35 15.4 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -171.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.18 1.34 24.89 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.484 0.659 . . . . 0.0 110.229 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -73.32 -8.04 54.15 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.47 1.129 . . . . 0.0 110.31 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.66 -5.71 46.89 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.587 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -108.94 148.69 30.31 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.434 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -95.36 119.34 33.7 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.407 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -150.93 127.01 10.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.551 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.2 p80 . . . . . 0 C--N 1.286 -2.178 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 170.41 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.969 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.01 119.33 16.04 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -84.66 -67.36 0.8 Allowed 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -166.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.74 -178.03 3.54 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.505 ' OG1' ' HA ' ' A' ' 10' ' ' LEU . 3.0 p -86.73 127.77 34.99 Favored 'General case' 0 N--CA 1.424 -1.747 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.351 -177.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -65.31 -24.51 67.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.089 1.356 . . . . 0.0 112.018 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.43 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 1.5 pm0 -70.74 4.52 2.45 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 m 71.31 3.61 4.73 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 124.906 1.282 . . . . 0.0 113.24 174.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -114.13 109.09 17.87 Favored 'General case' 0 C--N 1.276 -2.625 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.541 HD11 ' H ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -94.91 -176.33 3.82 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.182 -169.151 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.502 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 80.8 p -100.38 173.39 6.61 Favored 'General case' 0 N--CA 1.42 -1.975 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -59.83 -37.36 79.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.819 1.295 . . . . 0.0 110.595 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 23.8 t0 -64.16 -41.44 97.16 Favored 'General case' 0 CA--C 1.489 -1.387 0 CA-C-N 112.377 -2.192 . . . . 0.0 111.213 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.502 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 24.1 mm-40 -76.42 -33.7 58.8 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.059 -174.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.567 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.1 t -71.83 -38.99 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.638 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 8.4 mtmp? -56.73 -46.15 81.49 Favored 'General case' 0 N--CA 1.414 -2.25 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.122 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.65 -27.99 69.61 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.567 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.3 pt20 -70.14 -47.78 60.26 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.481 ' O ' HD13 ' A' ' 29' ' ' LEU . 59.2 mt -66.57 -44.76 81.4 Favored 'General case' 0 N--CA 1.409 -2.523 0 CA-C-N 113.24 -1.8 . . . . 0.0 111.743 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.423 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 19.7 m -57.78 -52.65 64.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.221 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 11.0 tp10 -61.66 -43.36 99.0 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 123.84 0.712 . . . . 0.0 109.888 -174.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.439 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 19.8 m -62.65 -47.19 84.79 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.856 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.57 -36.02 92.64 Favored Glycine 0 C--O 1.21 -1.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.333 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 20' ' ' THR . 22.0 mmmt -62.83 -34.41 77.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.435 -0.382 . . . . 0.0 111.188 177.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.8 mtpp -74.86 -42.99 56.86 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.308 0.575 . . . . 0.0 110.356 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 22' ' ' SER . 96.4 mtt180 -78.07 -47.05 19.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 122.522 1.153 . . . . 0.0 111.26 -174.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.12 6.46 45.33 Favored Glycine 0 N--CA 1.424 -2.113 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.985 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.0 p -164.74 160.87 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.704 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 19' ' ' LEU . 23.7 mt -148.83 146.72 28.11 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.988 1.315 . . . . 0.0 109.574 176.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.46 ' CG2' ' HA ' ' A' ' 65' ' ' GLU . 54.3 p -80.48 146.06 31.56 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -61.11 -38.63 87.01 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.62 0.724 . . . . 0.0 109.42 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -64.17 -43.06 96.31 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.424 -1.262 . . . . 0.0 113.556 -173.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.97 -27.6 62.88 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.537 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.444 ' O ' ' HG2' ' A' ' 38' ' ' MET . 97.3 mt -67.7 -42.5 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.228 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.223 177.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.89 78.47 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.755 0.788 . . . . 0.0 109.778 177.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.83 -46.95 87.64 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 125.462 1.505 . . . . 0.0 111.304 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -72.32 -29.72 64.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.172 0.51 . . . . 0.0 111.091 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.444 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.6 mmt -83.81 2.8 36.46 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.117 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -78.77 -11.85 60.0 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.7 t -71.42 -37.16 71.49 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 172.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.482 ' HB2' HG12 ' A' ' 43' ' ' ILE . 32.4 m-85 -95.46 -172.29 2.6 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.187 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.71 34.01 5.17 Favored 'General case' 0 C--N 1.263 -3.171 0 C-N-CA 125.023 1.329 . . . . 0.0 109.59 -174.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' A' ' 41' ' ' PHE . 30.6 mm -68.43 120.98 16.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.551 -175.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.99 165.63 20.53 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.609 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -59.42 -35.89 74.85 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 123.152 0.581 . . . . 0.0 110.559 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.15 -41.44 92.78 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.747 0.784 . . . . 0.0 110.031 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -79.42 -29.95 42.13 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.329 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.498 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -65.74 -45.1 83.86 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.307 174.322 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.74 -41.28 70.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.715 0.806 . . . . 0.0 110.714 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.63 -44.88 90.15 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.433 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -69.54 -36.3 76.24 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.476 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -60.99 -44.16 97.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 0.0 111.883 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.84 -37.56 84.71 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.999 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -57.94 -51.09 71.07 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.559 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.415 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 82.0 mt -56.64 -43.14 79.99 Favored 'General case' 0 C--O 1.249 1.046 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.683 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.34 93.52 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.451 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.25 -37.86 88.53 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -77.46 -36.24 53.12 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -175.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.04 47.63 0.09 OUTLIER Glycine 0 C--N 1.295 -1.743 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.716 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.415 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 50.9 t -133.12 125.43 51.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 40.1 mt-10 -87.35 165.19 15.79 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 123.144 0.278 . . . . 0.0 110.278 174.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.8 mt -121.91 117.68 27.05 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.395 0.617 . . . . 0.0 112.424 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.418 HD12 HG23 ' A' ' 63' ' ' ILE . 22.5 pt -106.52 175.35 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.59 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.454 ' O ' ' HB ' ' A' ' 30' ' ' THR . 31.5 t -74.69 -81.17 0.07 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 4.2 tm-20 166.88 -39.11 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 126.471 1.908 . . . . 0.0 106.047 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -76.2 17.23 0.37 Allowed 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' H ' ' C ' ' A' ' 65' ' ' GLU . 11.1 pt-20 -139.44 177.83 7.64 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 56.57 -168.28 0.11 Allowed 'General case' 0 N--CA 1.425 -1.714 0 O-C-N 124.354 1.034 . . . . 0.0 113.208 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 t -160.61 29.15 0.16 Allowed 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 122.302 1.049 . . . . 0.0 110.718 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -20.32 23.43 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.673 0.749 . . . . 0.0 111.193 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.33 -26.54 68.81 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 122.752 1.263 . . . . 0.0 109.988 173.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -88.88 2.18 54.14 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 113.531 -1.668 . . . . 0.0 111.571 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -98.16 -56.24 2.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -122.76 111.49 16.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.173 0.511 . . . . 0.0 112.337 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -129.92 132.53 46.39 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.6 m80 . . . . . 0 C--N 1.298 -1.665 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -179.642 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.395 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -164.2 -87.48 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.846 0 O-C-N 123.555 0.534 . . . . 0.0 111.728 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -70.09 -56.27 7.32 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.164 0.507 . . . . 0.0 109.805 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 42.5 tt0 -93.02 133.5 36.11 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.69 34.8 4.07 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.357 -174.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -84.46 -27.93 27.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -141.71 -178.62 5.74 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 175.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -80.09 -13.68 59.1 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 122.541 1.162 . . . . 0.0 109.439 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -112.53 162.96 15.05 Favored 'General case' 0 C--N 1.266 -3.064 0 CA-C-N 113.653 -1.612 . . . . 0.0 108.869 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -126.95 177.88 6.33 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -177.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.439 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 65.2 p -96.4 175.76 6.3 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -64.62 -38.29 90.5 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-O 122.123 0.963 . . . . 0.0 110.857 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.38 -40.34 96.15 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 113.408 -1.724 . . . . 0.0 111.057 174.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 32.1 mm-40 -72.84 -37.67 67.35 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.491 -176.136 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.627 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 72.6 t -71.72 -41.77 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.322 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -177.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -56.34 -47.3 79.07 Favored 'General case' 0 N--CA 1.424 -1.73 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.821 173.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.88 -29.17 70.56 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.627 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 1.6 pt20 -69.93 -48.52 58.19 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.499 ' O ' HD13 ' A' ' 29' ' ' LEU . 43.4 mt -67.02 -41.25 86.96 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-N 113.277 -1.783 . . . . 0.0 111.783 -177.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.406 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 21.8 m -57.31 -53.36 58.95 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 124.021 0.826 . . . . 0.0 110.008 178.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.92 -41.5 97.64 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.656 0.741 . . . . 0.0 110.998 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -64.08 -44.57 91.98 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 114.656 -1.157 . . . . 0.0 110.456 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.64 -34.62 89.49 Favored Glycine 0 C--O 1.201 -1.935 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.436 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.9 mmmt -65.22 -34.1 77.58 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.37 -40.3 62.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.468 0.651 . . . . 0.0 110.133 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -82.19 -54.16 5.49 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 122.696 1.236 . . . . 0.0 111.766 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.41 1.49 29.46 Favored Glycine 0 N--CA 1.416 -2.684 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.129 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.4 p -157.1 156.26 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.705 0 CA-C-O 120.568 0.223 . . . . 0.0 111.292 -172.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.54 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 61.5 mt -150.27 134.14 16.83 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 124.87 1.268 . . . . 0.0 108.399 174.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.426 HG21 HG13 ' A' ' 63' ' ' ILE . 46.4 p -72.92 144.71 47.23 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 118.105 0.411 . . . . 0.0 110.254 173.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -55.17 -38.83 68.82 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.467 0.651 . . . . 0.0 110.796 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -80.05 -24.07 40.96 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.4 pt-20 -76.32 -27.05 56.38 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 118.391 -1.324 . . . . 0.0 107.778 176.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.415 ' O ' ' HG2' ' A' ' 38' ' ' MET . 96.1 mt -70.48 -40.42 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.617 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -35.74 76.74 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 124.235 1.014 . . . . 0.0 110.613 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.49 -46.8 85.93 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.314 -174.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -72.42 -30.54 64.72 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.437 0.637 . . . . 0.0 109.349 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 22.0 mmt -83.11 -1.66 53.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.002 -177.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -75.06 -14.5 60.6 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 120.975 0.417 . . . . 0.0 110.31 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 m -73.36 -27.19 61.35 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.403 ' HB2' HG12 ' A' ' 43' ' ' ILE . 27.2 m-85 -100.32 -159.06 0.71 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.299 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -129.53 39.86 3.67 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.724 0.774 . . . . 0.0 109.307 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.403 HG12 ' HB2' ' A' ' 41' ' ' PHE . 39.6 mm -71.06 121.41 20.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.295 -175.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -75.86 163.13 27.53 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.072 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -66.08 -29.19 69.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.181 -0.304 . . . . 0.0 110.181 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.37 -30.93 67.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.08 0.467 . . . . 0.0 110.319 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.73 -32.55 57.87 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.797 0.808 . . . . 0.0 109.03 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.498 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -66.17 -39.88 90.09 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.532 173.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.27 -44.49 95.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.434 0.693 . . . . 0.0 111.845 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.49 -33.43 75.92 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.884 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -70.33 -37.2 74.63 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.96 -41.45 98.01 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.379 0.609 . . . . 0.0 109.989 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.1 tp10 -62.57 -43.57 98.49 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.92 177.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.06 -50.86 72.46 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.603 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.457 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 83.5 mt -57.59 -40.87 79.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.772 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.4 -40.12 98.21 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.715 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.469 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 47.4 mt-10 -63.86 -35.18 79.8 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 116.93 0.365 . . . . 0.0 111.814 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -77.56 -46.52 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.17 55.46 0.07 OUTLIER Glycine 0 C--N 1.3 -1.455 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.942 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.457 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 31.3 t -133.23 127.37 54.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -90.07 134.05 34.48 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.54 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mm? -98.4 106.75 19.07 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.345 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.426 HG13 HG21 ' A' ' 30' ' ' THR . 15.2 pt -91.0 174.89 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.2 m -99.58 16.37 23.59 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -170.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 70.6 -47.1 0.64 Allowed 'General case' 0 N--CA 1.522 3.16 0 C-N-CA 124.756 1.222 . . . . 0.0 113.153 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -68.08 -17.1 64.29 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 121.739 0.781 . . . . 0.0 109.337 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -118.43 139.78 50.87 Favored 'General case' 0 N--CA 1.401 -2.918 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 170.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.487 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 9.6 tp10 -162.06 132.85 5.0 Favored 'General case' 0 C--N 1.26 -3.326 0 O-C-N 123.99 0.806 . . . . 0.0 108.827 -176.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 p -91.34 -28.92 17.41 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.953 0.882 . . . . 0.0 110.548 -174.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.407 ' HG2' ' OE2' ' A' ' 68' ' ' GLU . 3.3 mm-40 -87.58 4.38 43.93 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 113.762 -1.563 . . . . 0.0 108.219 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -103.69 -26.13 12.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.356 -1.293 . . . . 0.0 109.085 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 68' ' ' GLU . 95.9 mt -83.37 -52.91 6.13 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 113.455 -1.702 . . . . 0.0 107.865 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -103.54 111.82 24.45 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.481 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 66.74 -171.84 0.19 Allowed 'General case' 0 C--O 1.238 0.495 0 O-C-N 124.072 0.857 . . . . 0.0 111.886 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -152.78 174.2 14.35 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 175.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 . . . . . 0 C--N 1.294 -1.848 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.348 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.437 ' H2 ' ' CD ' ' A' ' 17' ' ' GLU . . . . . . . . 0 CA--C 1.513 -0.479 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 70.06 -28.18 0.17 Allowed 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.746 1.619 . . . . 0.0 114.706 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -77.35 63.06 2.47 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -177.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -134.38 150.84 50.93 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -77.64 -51.21 11.0 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.114 0.483 . . . . 0.0 111.266 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -130.05 179.75 5.69 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.11 -13.92 54.68 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 m -111.19 6.44 20.68 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-O 122.493 1.139 . . . . 0.0 109.818 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -130.06 108.88 10.41 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.13 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -125.84 173.89 8.76 Favored 'General case' 0 N--CA 1.409 -2.518 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -174.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.6 p -99.78 175.51 5.77 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -60.84 -39.55 89.5 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 122.358 1.075 . . . . 0.0 110.846 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.4 -39.1 93.21 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 113.299 -1.773 . . . . 0.0 112.049 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 10' ' ' LEU . 16.5 mm100 -72.02 -37.65 69.74 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.545 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 58.0 t -71.99 -42.31 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.153 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -55.22 -48.06 74.42 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.045 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' CD ' ' H2 ' ' A' ' 1' ' ' ALA . 42.3 mt-10 -61.65 -31.11 71.2 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 176.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 6.7 pt20 -69.99 -48.4 58.33 Favored 'General case' 0 C--N 1.365 1.276 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 29' ' ' LEU . 20.1 mt -65.64 -40.0 92.04 Favored 'General case' 0 N--CA 1.416 -2.136 0 CA-C-N 113.603 -1.635 . . . . 0.0 111.607 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.437 ' OG1' ' HE2' ' A' ' 54' ' ' PHE . 17.0 m -59.78 -53.0 63.08 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.601 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.509 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 36.8 tt0 -64.5 -40.65 96.04 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.737 0.779 . . . . 0.0 110.717 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.8 m -68.55 -38.85 81.15 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.845 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.06 -33.74 87.95 Favored Glycine 0 C--O 1.205 -1.719 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.8 mmmt -65.93 -34.33 77.88 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 124.12 0.541 . . . . 0.0 112.123 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.7 mtpp -74.99 -40.24 60.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-O 121.91 0.862 . . . . 0.0 109.341 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 26' ' ' ARG . 45.7 mtt180 -76.78 -46.89 23.37 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.351 -177.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 13.32 54.5 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 -174.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.564 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 14.7 p -172.1 156.96 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 114.433 -0.883 . . . . 0.0 109.236 -174.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 19' ' ' LEU . 34.9 mt -144.17 136.75 26.87 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 122.966 0.507 . . . . 0.0 109.797 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.452 HG22 HG13 ' A' ' 63' ' ' ILE . 37.1 p -76.64 136.41 39.17 Favored 'General case' 0 N--CA 1.425 -1.697 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 172.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -55.54 -38.01 68.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.818 0.447 . . . . 0.0 111.031 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.492 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 38.4 mt-10 -74.28 -21.48 59.73 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.301 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.1 -45.14 35.42 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 30' ' ' THR . 69.8 mt -58.32 -47.36 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.376 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.22 75.79 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 124.186 0.994 . . . . 0.0 111.609 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.492 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 33.7 tt0 -63.33 -43.91 96.41 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.013 -172.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.72 -26.98 63.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.405 ' HE2' HD11 ' A' ' 19' ' ' LEU . 23.6 mmt -83.47 -3.46 57.61 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.369 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 m -74.75 -8.57 56.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.429 0.633 . . . . 0.0 110.099 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -75.49 -21.0 58.4 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -114.6 -162.93 0.84 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.446 -1.252 . . . . 0.0 107.659 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -129.78 80.38 1.96 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 122.614 1.197 . . . . 0.0 108.221 175.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.74 117.24 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.998 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.409 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -71.68 155.19 40.77 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 113.715 -1.584 . . . . 0.0 109.339 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.7 m -60.11 -30.37 69.22 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.866 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -69.88 -34.63 73.8 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.143 0.497 . . . . 0.0 110.317 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -74.94 -29.19 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.707 0.765 . . . . 0.0 109.444 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.484 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -69.85 -40.32 75.87 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.495 173.209 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.416 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 22.8 t70 -58.29 -42.78 87.35 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.735 0.814 . . . . 0.0 112.569 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.13 -33.41 75.38 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.44 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -69.73 -36.87 76.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 20.8 m-85 -59.73 -41.61 91.3 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.025 0.44 . . . . 0.0 110.645 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 6.4 tp10 -62.82 -42.9 99.92 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.858 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.437 ' HE2' ' OG1' ' A' ' 20' ' ' THR . 35.9 t80 -59.34 -49.41 77.93 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.556 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 75.7 mt -57.02 -44.71 83.12 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.788 178.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.73 -38.8 92.64 Favored Glycine 0 C--O 1.242 0.602 0 CA-C-N 114.299 -1.319 . . . . 0.0 111.569 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 8.4 mm-40 -64.67 -36.24 83.63 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 123.251 0.62 . . . . 0.0 112.34 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -76.14 -35.7 59.1 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.68 33.48 0.48 Allowed Glycine 0 C--N 1.294 -1.781 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.692 176.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.451 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.3 t -115.25 126.88 72.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 45.5 mt-10 -95.03 139.87 30.78 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.66 123.29 46.72 Favored 'General case' 0 C--N 1.279 -2.469 0 C-N-CA 119.153 -1.019 . . . . 0.0 112.748 -177.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.452 HG13 HG22 ' A' ' 30' ' ' THR . 24.9 pt -108.53 179.08 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 174.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.692 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . 8.1 t -78.06 -76.4 0.19 Allowed 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 118.264 0.484 . . . . 0.0 111.73 -176.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.489 ' HB2' ' O ' ' A' ' 64' ' ' SER . 13.1 tt0 157.24 -13.63 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 127.258 2.223 . . . . 0.0 108.903 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -78.09 -15.92 58.46 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 122.57 1.176 . . . . 0.0 108.354 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.692 ' OE2' ' HB3' ' A' ' 64' ' ' SER . 1.6 pm0 -118.04 153.86 32.98 Favored 'General case' 0 N--CA 1.401 -2.879 0 C-N-CA 126.643 1.977 . . . . 0.0 106.511 173.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -178.34 142.07 0.25 Allowed 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 p -117.89 -6.19 11.01 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -175.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.88 -11.47 44.54 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.613 0.72 . . . . 0.0 109.749 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -124.86 89.23 3.03 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.479 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.5 mt -139.51 -58.27 0.58 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.597 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -90.87 84.38 5.8 Favored 'General case' 0 C--O 1.25 1.101 0 N-CA-C 112.81 0.671 . . . . 0.0 112.81 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.72 106.07 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 108.717 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -79.36 -41.76 27.12 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 . . . . . 0 N--CA 1.428 -1.57 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.034 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.43 ' H3 ' ' CD ' ' A' ' 17' ' ' GLU . . . . . . . . 0 C--O 1.237 0.425 0 CA-C-O 120.82 0.343 . . . . 0.0 110.632 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -109.41 -165.73 1.04 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -86.32 166.92 15.24 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 124.413 1.085 . . . . 0.0 109.618 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.477 ' HG3' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.43 105.53 17.51 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.6 p -99.74 160.27 14.43 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -174.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.0 m80 74.25 -55.56 0.66 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.631 1.572 . . . . 0.0 111.988 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.2 -176.24 3.61 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -131.07 17.28 5.06 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.933 0.873 . . . . 0.0 109.885 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -104.74 111.33 24.01 Favored 'General case' 0 N--CA 1.419 -1.984 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HA ' ' HG3' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -99.59 168.68 9.8 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.251 -172.515 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.586 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 21.0 p -95.83 175.08 6.64 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -177.067 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -60.8 -38.89 86.89 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-O 122.478 1.132 . . . . 0.0 109.975 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.413 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 12.6 m-20 -67.93 -36.37 80.03 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 112.977 -1.92 . . . . 0.0 113.255 174.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.586 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 15.9 mm100 -73.36 -37.22 66.14 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 76.5 t -72.55 -40.4 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.666 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.987 -178.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -56.48 -46.32 80.5 Favored 'General case' 0 N--CA 1.422 -1.86 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' CD ' ' H3 ' ' A' ' 1' ' ' ALA . 50.4 mt-10 -63.16 -28.02 69.77 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.8 pt20 -71.76 -50.66 28.05 Favored 'General case' 0 C--N 1.372 1.553 0 CA-C-O 122.184 0.992 . . . . 0.0 108.395 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' O ' HD11 ' A' ' 29' ' ' LEU . 52.3 mt -66.04 -40.54 91.09 Favored 'General case' 0 N--CA 1.41 -2.457 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.547 -176.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.7 m -58.49 -50.11 74.93 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.207 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.565 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -62.67 -43.54 98.54 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.004 0.907 . . . . 0.0 108.814 -175.322 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 m -65.87 -44.64 84.81 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.072 -1.422 . . . . 0.0 111.341 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.47 -34.49 90.1 Favored Glycine 0 C--O 1.207 -1.563 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -67.75 -29.34 68.53 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.434 -0.883 . . . . 0.0 113.307 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.565 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.9 mtpp -74.16 -43.72 56.3 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.613 0.72 . . . . 0.0 110.035 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -85.75 -51.92 6.12 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.949 -173.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.18 14.11 19.48 Favored Glycine 0 N--CA 1.426 -1.991 0 CA-C-N 113.657 -1.61 . . . . 0.0 109.586 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.514 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 7.1 p -168.63 155.66 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 115.505 -0.347 . . . . 0.0 110.514 -175.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 53.2 mt -148.44 138.63 22.52 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 124.746 1.218 . . . . 0.0 108.427 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 39.7 p -75.02 141.99 43.85 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 118.108 0.413 . . . . 0.0 110.405 173.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -55.38 -43.11 74.85 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.145 0.497 . . . . 0.0 110.288 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.06 -33.9 76.51 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.994 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.428 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.5 pt-20 -74.05 -28.64 61.5 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 118.533 -1.267 . . . . 0.0 108.957 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.439 ' O ' ' HG2' ' A' ' 38' ' ' MET . 88.4 mt -68.57 -43.79 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.979 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.768 175.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.93 85.67 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 124.366 1.067 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -59.8 -49.58 77.14 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.376 1.07 . . . . 0.0 111.683 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -67.97 -31.73 71.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.477 0.656 . . . . 0.0 110.166 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.3 mmt -81.43 -4.98 57.4 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.136 -177.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.1 m -73.05 -16.64 61.48 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.845 0.355 . . . . 0.0 110.44 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 m -75.56 -29.11 59.26 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -95.25 -21.15 18.63 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.688 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 66.48 68.57 0.43 Allowed 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 124.543 1.152 . . . . 0.0 108.986 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.3 mm -95.48 119.94 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.161 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.933 -178.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -65.13 149.75 49.35 Favored 'General case' 0 C--N 1.277 -2.549 0 CA-C-N 114.067 -1.424 . . . . 0.0 110.561 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.4 m -55.16 -31.1 61.08 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 124.013 0.925 . . . . 0.0 110.295 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.31 -48.04 77.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.771 1.228 . . . . 0.0 109.729 176.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -81.47 -27.16 34.73 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.679 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.442 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -60.34 -40.49 90.88 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.413 176.32 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.53 -42.3 78.23 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.185 0.594 . . . . 0.0 109.93 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.93 -43.24 91.14 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.422 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.33 -35.89 73.91 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.153 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.0 -44.32 97.6 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.0 0.428 . . . . 0.0 111.11 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.89 -36.2 81.73 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.173 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -59.17 -49.52 77.54 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.421 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 98.4 mt -58.52 -36.59 74.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.395 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.29 98.82 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.016 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -64.65 -33.57 76.24 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 120.948 0.404 . . . . 0.0 111.56 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -77.47 -38.77 48.5 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.63 51.98 0.2 Allowed Glycine 0 C--N 1.304 -1.241 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.314 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.421 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.1 t -132.7 124.97 51.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 42.7 mt-10 -89.86 139.53 30.5 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 174.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -101.06 117.58 35.31 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.674 -178.384 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' A' ' 30' ' ' THR . 16.4 pt -95.99 165.18 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.317 0 CA-C-O 122.313 1.054 . . . . 0.0 113.579 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.477 ' HB2' ' OE2' ' A' ' 67' ' ' GLU . 10.2 m -82.78 5.26 22.11 Favored 'General case' 0 C--N 1.273 -2.722 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 -172.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 12.6 tm-20 73.91 -38.9 0.41 Allowed 'General case' 0 N--CA 1.52 3.048 0 CA-C-N 119.012 0.824 . . . . 0.0 112.937 174.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.447 ' ND2' ' HB3' ' A' ' 64' ' ' SER . 11.2 p30 -71.27 -10.65 60.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.115 0.96 . . . . 0.0 108.937 173.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' OE2' ' HB2' ' A' ' 64' ' ' SER . 17.0 pt-20 -123.23 151.0 42.72 Favored 'General case' 0 N--CA 1.406 -2.665 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 175.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -152.76 149.81 28.73 Favored 'General case' 0 C--N 1.271 -2.816 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.6 p -108.47 -16.68 14.16 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 119.587 -0.845 . . . . 0.0 113.024 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.86 -20.92 25.36 Favored 'General case' 0 C--N 1.274 -2.714 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -100.41 72.39 1.6 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -178.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.7 mt -136.61 18.5 3.09 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 113.61 -1.632 . . . . 0.0 108.152 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -87.73 141.97 28.19 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.164 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -90.13 96.92 10.9 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -84.99 -59.8 2.23 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 28.1 p80 . . . . . 0 C--N 1.305 -1.368 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.921 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.519 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 24.4 t70 64.89 -88.37 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.712 -174.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 2' ' ' ASP . 5.3 mmpt? -175.93 154.84 1.54 Allowed 'General case' 0 CA--C 1.503 -0.832 0 C-N-CA 126.782 2.033 . . . . 0.0 105.99 174.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.449 HE21 ' HA ' ' A' ' 10' ' ' LEU . 6.4 tp-100 -81.26 148.12 29.61 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 169.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -46.82 6.29 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.709 1.204 . . . . 0.0 113.742 -170.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -155.41 -72.36 0.11 Allowed 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.51 -1.292 . . . . 0.0 107.51 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -162.26 97.66 1.01 Allowed 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -143.4 175.87 9.59 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 103.628 -2.731 . . . . 0.0 103.628 -175.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -61.03 139.68 58.01 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 172.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.457 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -119.64 178.11 4.69 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.282 -168.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.529 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 47.0 p -97.95 177.51 5.41 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -62.07 -39.85 93.8 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 122.635 1.207 . . . . 0.0 110.551 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.49 -40.32 95.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 112.702 -2.044 . . . . 0.0 110.591 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.529 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 9.8 mm-40 -74.73 -36.87 62.65 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.265 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.7 t -69.8 -38.29 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.511 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -177.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -56.36 -41.46 76.2 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.461 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.65 -33.44 75.93 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.6 pt20 -70.46 -46.96 62.79 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-O 122.114 0.959 . . . . 0.0 108.883 -174.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.403 ' O ' HD13 ' A' ' 29' ' ' LEU . 42.8 mt -66.38 -38.39 87.43 Favored 'General case' 0 N--CA 1.408 -2.531 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 15.7 m -59.09 -52.36 66.06 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.587 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.81 -45.39 94.62 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.933 0.873 . . . . 0.0 110.086 -174.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.1 m -64.56 -46.25 83.59 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.408 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.76 -36.77 93.51 Favored Glycine 0 C--O 1.205 -1.716 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.758 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.3 mmmt -63.7 -36.24 83.19 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.955 0.502 . . . . 0.0 111.756 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.09 -40.43 65.01 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-O 121.265 0.555 . . . . 0.0 110.298 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -81.59 -51.85 7.8 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.956 0.884 . . . . 0.0 112.051 -175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.57 -4.16 27.84 Favored Glycine 0 N--CA 1.425 -2.065 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.098 -173.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -155.38 153.38 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.963 0 CA-C-O 121.19 0.519 . . . . 0.0 111.336 -172.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.403 HD13 ' O ' ' A' ' 19' ' ' LEU . 73.8 mt -141.38 144.73 34.67 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.168 174.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.459 ' HB ' ' O ' ' A' ' 64' ' ' SER . 41.5 p -84.03 150.44 25.6 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -63.15 -35.04 78.95 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 122.292 -0.255 . . . . 0.0 111.547 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -72.97 -29.67 63.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 119.835 -0.746 . . . . 0.0 112.594 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.8 pt-20 -75.61 -30.32 59.52 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.441 -0.903 . . . . 0.0 108.714 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.407 ' O ' ' HG2' ' A' ' 38' ' ' MET . 84.8 mt -69.74 -40.73 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.078 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.37 80.67 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.065 0.946 . . . . 0.0 110.13 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.02 -52.08 67.0 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.179 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -70.95 -29.33 65.31 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.407 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.3 mmt -83.58 -0.22 49.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.595 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 t -74.2 -17.23 60.93 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.338 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 p -73.06 -27.66 61.87 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 174.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -103.99 -172.03 2.04 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.42 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -125.04 93.27 3.84 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 172.033 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.8 mm -109.82 122.29 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.994 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.855 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -76.79 164.4 25.87 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.562 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -62.81 -29.46 70.74 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 123.324 0.65 . . . . 0.0 110.041 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.57 -54.19 48.4 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.143 0.973 . . . . 0.0 108.689 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -64.76 -38.78 92.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.618 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.446 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.6 OUTLIER -58.17 -46.41 85.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.275 179.067 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.38 -40.53 94.69 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.108 0.48 . . . . 0.0 110.513 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -60.33 -41.33 93.3 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.419 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -68.82 -38.86 80.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.9 -41.54 98.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.317 0.58 . . . . 0.0 110.415 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.18 -44.24 95.97 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.102 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.437 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 45.0 t80 -56.48 -52.24 65.44 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.444 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.453 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 89.1 mt -57.24 -43.88 83.32 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.771 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.36 -40.57 94.32 Favored Glycine 0 N--CA 1.453 -0.218 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.68 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.17 -33.1 74.99 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 67.0 mm-40 -79.09 -43.54 23.92 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.53 49.33 0.06 OUTLIER Glycine 0 CA--C 1.484 -1.897 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.883 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.453 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.7 t -133.29 122.26 44.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -88.7 136.74 32.84 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.44 106.68 18.27 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.453 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.429 HG13 HG22 ' A' ' 30' ' ' THR . 32.1 pt -93.3 175.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.646 177.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.459 ' O ' ' HB ' ' A' ' 30' ' ' THR . 38.1 t -70.46 -81.97 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.464 0.649 . . . . 0.0 112.076 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 156.78 -22.05 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 129.329 3.052 . . . . 0.0 103.737 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.83 -20.24 55.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 113.165 -1.834 . . . . 0.0 109.043 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -128.51 156.88 42.58 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.95 158.5 8.74 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 104.189 -2.523 . . . . 0.0 104.189 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 t -149.46 19.22 0.94 Allowed 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -120.46 -4.69 9.85 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.18 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -84.52 -18.46 35.67 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 122.869 1.319 . . . . 0.0 107.912 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -86.65 20.14 2.63 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 113.093 -1.867 . . . . 0.0 111.245 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -70.71 108.52 4.45 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -80.19 88.57 5.46 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.455 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -125.13 -42.12 2.03 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 . . . . . 0 N--CA 1.436 -1.134 0 N-CA-C 103.875 -2.639 . . . . 0.0 103.875 174.367 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.993 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -168.66 -39.15 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.414 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 66.48 18.86 10.89 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.751 1.22 . . . . 0.0 110.927 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.694 ' HG2' ' O ' ' A' ' 9' ' ' GLU . 12.2 tp60 66.65 82.65 0.18 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 126.267 1.827 . . . . 0.0 110.906 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.2 p -78.73 -32.53 46.84 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.21 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -115.39 140.43 49.14 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 80.72 126.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.507 1.523 . . . . 0.0 110.396 -173.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.9 m -92.56 66.33 4.52 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-O 122.587 1.184 . . . . 0.0 110.94 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.694 ' O ' ' HG2' ' A' ' 4' ' ' GLN . 10.3 pt-20 -175.02 146.6 0.88 Allowed 'General case' 0 CA--C 1.471 -2.082 0 N-CA-C 103.458 -2.793 . . . . 0.0 103.458 175.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.402 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -109.37 168.3 9.49 Favored 'General case' 0 C--N 1.273 -2.725 0 C-N-CA 118.003 -1.479 . . . . 0.0 108.167 -179.592 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.2 p -98.57 176.02 5.8 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -61.78 -38.53 88.39 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 122.739 1.257 . . . . 0.0 110.171 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.1 -42.37 99.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 112.679 -2.055 . . . . 0.0 111.127 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.402 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 22.0 mm-40 -72.5 -39.87 67.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.149 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.58 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.6 t -70.6 -39.76 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -55.06 -45.69 75.34 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.628 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.08 -28.22 69.64 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.58 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 6.9 pt20 -68.65 -47.78 65.69 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.403 HD11 HG23 ' A' ' 34' ' ' ILE . 32.3 mt -67.26 -42.3 84.13 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-N 113.324 -1.762 . . . . 0.0 112.519 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 m -58.02 -51.43 69.68 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.921 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 32.4 tt0 -63.32 -42.34 98.98 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.602 0.715 . . . . 0.0 110.896 -177.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -66.07 -43.47 87.31 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.819 -176.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.37 91.85 Favored Glycine 0 C--O 1.199 -2.04 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.7 mmmt -66.13 -33.93 76.9 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 58.9 mtpt -75.34 -39.8 58.95 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.262 0.553 . . . . 0.0 110.199 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -79.25 -48.8 13.53 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.297 1.046 . . . . 0.0 110.913 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.32 12.04 37.18 Favored Glycine 0 N--CA 1.428 -1.85 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -173.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.0 p -166.2 152.1 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.753 0 CA-C-N 115.342 -0.429 . . . . 0.0 111.266 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 65.5 mt -148.28 132.3 17.22 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 124.799 1.24 . . . . 0.0 107.944 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.476 HG22 HG13 ' A' ' 63' ' ' ILE . 42.3 p -75.72 149.78 37.98 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.972 173.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -53.94 -38.02 64.5 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.784 0.326 . . . . 0.0 111.31 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.42 -33.56 60.94 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.38 -25.39 60.55 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 119.22 -0.992 . . . . 0.0 108.855 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.403 HG23 HD11 ' A' ' 19' ' ' LEU . 95.2 mt -72.37 -43.55 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.798 175.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.55 68.02 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.916 0.886 . . . . 0.0 110.696 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.03 -41.77 97.21 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.115 -173.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -75.42 -29.75 59.84 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.366 0.603 . . . . 0.0 109.75 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.6 mmt -83.62 -1.4 53.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.03 -175.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.2 p -67.95 -22.0 65.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.233 0.54 . . . . 0.0 110.34 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -68.13 -28.07 67.0 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.526 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -104.83 -173.92 2.42 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -119.28 81.29 1.69 Allowed 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.1 mm -102.22 122.11 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.941 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.69 162.81 28.78 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 113.841 -1.527 . . . . 0.0 110.452 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 p -67.65 -22.12 65.33 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.641 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -71.28 -48.65 49.53 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -62.4 -41.49 98.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.009 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.4 mmt -61.39 -43.69 98.44 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.81 178.041 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.5 -36.93 85.31 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.046 0.45 . . . . 0.0 110.256 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -59.86 -43.97 94.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.139 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.77 -35.98 77.75 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.573 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.05 -42.49 98.58 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 118.069 0.395 . . . . 0.0 111.754 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -63.76 -43.23 97.05 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.409 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 57.6 t80 -55.42 -51.66 66.14 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.925 0.766 . . . . 0.0 110.293 178.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 92.0 mt -57.76 -43.42 85.44 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.469 179.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.54 -41.4 98.72 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.619 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -64.19 -34.26 77.67 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 122.936 0.495 . . . . 0.0 111.633 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 84.2 mm-40 -77.23 -38.38 51.34 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.23 49.06 0.12 Allowed Glycine 0 C--N 1.302 -1.34 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.561 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 22.8 t -130.46 132.48 64.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -92.28 131.18 37.7 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -95.39 97.9 10.16 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.65 177.531 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.476 HG13 HG22 ' A' ' 30' ' ' THR . 34.8 pt -86.83 168.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.649 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.408 ' C ' ' H ' ' A' ' 66' ' ' ASN . 1.0 OUTLIER -96.09 15.39 20.9 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.834 -173.292 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 75.78 -39.8 0.39 Allowed 'General case' 0 N--CA 1.51 2.535 0 C-N-CA 124.355 1.062 . . . . 0.0 110.647 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.408 ' H ' ' C ' ' A' ' 64' ' ' SER . 50.7 t30 -74.49 4.52 5.89 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 124.864 1.266 . . . . 0.0 110.759 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 11.8 pt-20 -140.55 152.85 45.86 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.496 ' OE2' ' HG2' ' A' ' 70' ' ' GLU . 0.8 OUTLIER 156.82 177.54 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 127.576 2.35 . . . . 0.0 106.627 173.661 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.8 p -123.91 -13.53 7.35 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-O 121.217 0.532 . . . . 0.0 111.944 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.496 ' HG2' ' OE2' ' A' ' 68' ' ' GLU . 9.0 pt-20 -72.55 -14.92 61.75 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -85.34 -8.47 58.45 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 122.753 1.263 . . . . 0.0 108.913 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.8 mt -94.62 -29.07 15.04 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.548 175.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.7 -64.27 0.91 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -164.06 133.06 3.77 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -93.99 -179.65 5.04 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.077 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 20.3 p80 . . . . . 0 N--CA 1.437 -1.118 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 177.539 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.501 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -101.87 163.52 12.21 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.027 0.442 . . . . 0.0 110.991 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -83.66 93.11 7.83 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.163 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 60.96 172.32 0.1 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.208 2.203 . . . . 0.0 114.39 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -83.26 145.99 28.81 Favored 'General case' 0 N--CA 1.398 -3.062 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 171.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -78.07 -8.3 58.04 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.332 0.587 . . . . 0.0 111.382 -173.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.97 177.79 4.11 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.383 174.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -85.8 64.21 8.48 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 122.313 1.054 . . . . 0.0 110.729 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -165.96 158.37 14.69 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' N ' HD13 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -130.31 -178.02 4.57 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.423 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.563 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 11.1 p -100.53 174.05 6.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.66 -38.42 91.05 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 122.78 1.276 . . . . 0.0 110.418 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -64.73 -35.15 80.13 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 112.293 -2.231 . . . . 0.0 111.616 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.563 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 15.4 mm100 -76.58 -38.24 55.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.2 t -71.35 -37.93 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -56.96 -44.22 82.36 Favored 'General case' 0 N--CA 1.409 -2.493 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.092 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.07 -31.36 71.78 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.9 pt20 -70.42 -48.63 55.12 Favored 'General case' 0 CA--C 1.484 -1.571 0 CA-C-O 122.455 1.121 . . . . 0.0 109.037 -175.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' O ' HD11 ' A' ' 29' ' ' LEU . 54.1 mt -65.89 -40.04 91.21 Favored 'General case' 0 N--CA 1.401 -2.908 0 CA-C-N 113.226 -1.806 . . . . 0.0 111.076 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -59.29 -51.43 70.0 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 124.094 0.871 . . . . 0.0 110.086 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.32 -44.34 96.72 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 122.183 0.992 . . . . 0.0 110.177 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.9 m -66.14 -46.39 77.64 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.249 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.69 -32.65 84.88 Favored Glycine 0 C--O 1.212 -1.26 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.443 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 27.2 mmmt -64.5 -35.56 81.36 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 178.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.82 -42.1 34.9 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-O 122.021 0.915 . . . . 0.0 110.757 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.435 ' HD2' ' O ' ' A' ' 28' ' ' VAL . 94.2 mtt180 -75.83 -48.3 22.12 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.275 -176.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 4.6 47.68 Favored Glycine 0 N--CA 1.428 -1.852 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.927 -173.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.435 ' O ' ' HD2' ' A' ' 26' ' ' ARG . 8.3 p -162.29 156.97 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.671 0 CA-C-N 115.346 -0.427 . . . . 0.0 110.951 -172.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.491 HD11 ' O ' ' A' ' 19' ' ' LEU . 38.0 mt -148.31 139.73 23.5 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 124.15 0.98 . . . . 0.0 109.369 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.6 p -75.68 140.17 42.37 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 118.093 0.406 . . . . 0.0 111.103 175.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -50.83 -37.87 45.49 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.045 0.938 . . . . 0.0 112.789 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -86.57 -24.97 25.24 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.483 -0.887 . . . . 0.0 113.293 -173.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.493 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 12.8 pt-20 -73.75 -31.8 63.51 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 118.111 -1.436 . . . . 0.0 107.897 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.439 ' O ' ' HG2' ' A' ' 38' ' ' MET . 84.6 mt -62.78 -44.35 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.233 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.832 175.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.05 87.32 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 124.11 0.964 . . . . 0.0 110.721 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.69 -47.66 84.77 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.082 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 54.5 mmt-85 -66.17 -32.54 74.05 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -82.27 -5.14 58.34 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.528 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 m -78.48 -5.51 52.76 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.294 0.569 . . . . 0.0 110.002 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 m -73.31 -30.53 63.43 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 25.3 m-85 -103.66 -166.48 1.26 Allowed 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 114.02 -1.445 . . . . 0.0 107.641 178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.62 64.66 0.74 Allowed 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 30.7 mm -100.96 115.0 41.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-O 121.55 0.691 . . . . 0.0 110.404 -175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -77.16 168.46 20.02 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.604 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.7 t -61.94 -30.95 71.26 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.494 0.718 . . . . 0.0 109.407 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.9 -47.36 85.26 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 125.059 1.343 . . . . 0.0 109.23 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -77.55 -35.92 52.72 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.099 -1.41 . . . . 0.0 109.932 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.492 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -59.98 -38.09 81.54 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.99 176.548 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.12 -42.02 76.2 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.34 0.656 . . . . 0.0 111.443 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.38 -37.84 88.23 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.669 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.8 t80 -71.22 -34.67 71.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.637 176.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.76 -39.86 93.11 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 120.901 0.382 . . . . 0.0 110.538 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 8.6 tp10 -63.29 -47.17 83.42 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.228 176.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 46.8 t80 -55.43 -50.34 70.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 O-C-N 123.935 0.772 . . . . 0.0 110.861 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.441 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 85.6 mt -58.14 -42.86 86.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.827 178.194 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.51 96.33 Favored Glycine 0 C--O 1.237 0.318 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.208 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.547 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 48.6 mt-10 -63.82 -32.93 74.61 Favored 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 122.651 0.38 . . . . 0.0 111.405 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 25.2 mm-40 -78.89 -53.22 7.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.24 49.43 0.03 OUTLIER Glycine 0 C--N 1.302 -1.351 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.5 t -133.83 131.99 56.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 45.5 mt-10 -97.87 140.15 32.66 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 173.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.84 112.49 24.57 Favored 'General case' 0 N--CA 1.408 -2.571 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.035 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 15.3 pt -93.23 168.61 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.462 -2.406 0 CA-C-O 122.152 0.977 . . . . 0.0 111.522 178.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 59.1 m -77.36 150.55 35.14 Favored 'General case' 0 N--CA 1.386 -3.658 0 CA-C-N 113.633 -1.621 . . . . 0.0 107.398 173.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -78.82 -13.89 59.56 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.95 0.881 . . . . 0.0 109.697 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -65.15 -20.63 66.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.309 173.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 64' ' ' SER . 11.4 pt-20 -122.2 166.66 14.24 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.69 158.18 1.0 Allowed 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 178.356 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -115.89 -25.31 7.78 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -175.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -91.67 -8.55 46.76 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-O 121.918 0.866 . . . . 0.0 108.742 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -97.03 3.83 51.72 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.677 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.14 -35.9 21.43 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.728 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' OE1' ' HE1' ' A' ' 75' ' ' HIS . 8.1 pt-20 -112.64 95.33 5.37 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.072 176.071 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -72.13 109.47 5.94 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.662 -175.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.416 ' HE1' ' OE1' ' A' ' 73' ' ' GLU . 71.5 m80 -104.34 56.18 0.72 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 175.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 . . . . . 0 C--N 1.307 -1.256 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 179.634 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.397 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -123.66 -48.8 1.9 Allowed 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 71.69 3.03 4.52 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.896 1.279 . . . . 0.0 112.607 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 70.51 145.87 0.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.068 1.347 . . . . 0.0 112.107 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 p -86.62 88.27 7.62 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.8 t60 74.85 133.42 0.05 OUTLIER 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.614 1.565 . . . . 0.0 110.045 -177.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -74.3 87.83 2.0 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.992 0.901 . . . . 0.0 110.724 -175.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.1 m -143.29 88.36 2.01 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 114.266 -1.334 . . . . 0.0 107.457 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 57.12 111.07 0.01 OUTLIER 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.407 1.483 . . . . 0.0 113.01 -177.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -118.97 -178.79 3.64 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.082 -170.361 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.476 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 55.2 p -99.43 178.56 4.84 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -64.27 -36.44 84.11 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.684 1.231 . . . . 0.0 110.301 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.62 -40.21 95.07 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 112.906 -1.952 . . . . 0.0 113.013 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.485 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 15.7 mm-40 -75.27 -36.61 61.19 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.496 -176.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.544 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.6 t -71.02 -37.98 69.95 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.719 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -55.14 -47.95 74.37 Favored 'General case' 0 N--CA 1.408 -2.571 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.303 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.31 -26.24 68.4 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.9 pt20 -71.03 -50.18 36.85 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 122.609 1.195 . . . . 0.0 108.609 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD13 HG22 ' A' ' 34' ' ' ILE . 25.6 mt -66.08 -39.53 90.1 Favored 'General case' 0 N--CA 1.414 -2.236 0 CA-C-N 113.248 -1.796 . . . . 0.0 111.791 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.474 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 17.0 m -60.03 -50.19 74.7 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.402 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.92 -40.98 99.24 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 123.853 0.721 . . . . 0.0 109.838 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -62.0 -48.21 81.32 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.435 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.13 91.61 Favored Glycine 0 C--O 1.207 -1.553 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.814 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 20' ' ' THR . 29.8 mmmt -63.28 -35.86 81.75 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 122.895 0.478 . . . . 0.0 112.257 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -75.01 -39.13 61.33 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.276 0.56 . . . . 0.0 111.053 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -84.34 -54.94 4.44 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 122.247 1.022 . . . . 0.0 111.72 -176.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.91 -5.4 18.38 Favored Glycine 0 N--CA 1.426 -1.995 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.116 -174.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.4 p -156.32 157.26 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 CA-C-O 120.72 0.295 . . . . 0.0 111.136 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 19' ' ' LEU . 68.6 mt -145.74 141.72 28.27 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 124.627 1.171 . . . . 0.0 108.59 175.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.544 ' HB ' ' O ' ' A' ' 64' ' ' SER . 44.0 p -79.93 144.11 33.63 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -57.2 -36.11 70.44 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.142 0.496 . . . . 0.0 111.047 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -77.55 -23.76 50.0 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.237 -173.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 30' ' ' THR . 15.4 pt-20 -80.32 -29.13 38.05 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 176.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG22 HD13 ' A' ' 19' ' ' LEU . 89.5 mt -67.07 -41.68 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.124 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.779 175.339 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.09 -30.72 71.28 Favored 'General case' 0 N--CA 1.432 -1.347 0 C-N-CA 124.081 0.953 . . . . 0.0 110.857 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.86 -51.82 68.09 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.886 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -69.18 -30.49 68.7 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -81.3 -3.36 52.3 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.829 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t -79.98 -4.26 51.76 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 t -74.08 -28.89 61.6 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -110.24 -169.57 1.49 Allowed 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 114.098 -1.41 . . . . 0.0 107.301 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -125.23 89.64 3.09 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.5 129.81 60.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.627 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.69 167.72 21.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.535 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.6 t -66.82 -32.06 73.1 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 176.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.58 -43.73 75.9 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.59 -36.8 84.99 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.987 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -64.8 -42.1 95.28 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.848 175.618 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.401 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 19.4 t70 -61.14 -34.93 75.79 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.319 0.387 . . . . 0.0 110.661 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.64 -47.56 81.89 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.648 0.737 . . . . 0.0 109.522 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -68.57 -34.43 75.8 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.0 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.401 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 22.9 m-85 -61.89 -42.15 98.74 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.291 -0.256 . . . . 0.0 111.35 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.25 -43.45 98.8 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.355 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.452 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 51.4 t80 -57.64 -50.39 73.31 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.401 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 83.0 mt -57.34 -42.49 82.08 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.565 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.53 98.63 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.802 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.25 -38.81 88.05 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 122.989 0.515 . . . . 0.0 111.072 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 24.7 mm-40 -76.15 -50.16 15.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 -176.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.3 56.65 0.04 OUTLIER Glycine 0 C--N 1.304 -1.199 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.075 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.401 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.5 t -139.2 128.75 30.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 40.3 mt-10 -90.68 136.49 33.03 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.91 112.39 25.34 Favored 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.353 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.7 pt -94.99 173.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' HB ' ' A' ' 30' ' ' THR . 41.2 t -72.31 -91.36 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' A' ' 64' ' ' SER . 20.7 tt0 161.91 -12.17 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 127.831 2.452 . . . . 0.0 106.507 175.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.46 -2.05 30.21 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 168.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -139.55 155.61 47.39 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.49 120.37 5.68 Favored 'General case' 0 C--N 1.273 -2.744 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 177.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.7 p -131.04 20.02 4.94 Favored 'General case' 0 C--N 1.271 -2.828 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.476 -172.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.91 -16.56 21.68 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -131.86 86.76 2.37 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.367 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.44 8.1 12.04 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.607 0.717 . . . . 0.0 109.716 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -95.03 124.44 39.08 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.204 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -92.9 106.08 18.1 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -134.38 145.02 48.56 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.159 -175.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 . . . . . 0 C--N 1.307 -1.251 0 CA-C-O 118.971 -0.538 . . . . 0.0 111.272 -178.911 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 121.014 0.435 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -83.44 119.46 24.69 Favored 'General case' 0 CA--C 1.491 -1.317 0 CA-C-O 121.591 0.71 . . . . 0.0 112.738 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.02 21.77 4.52 Favored 'General case' 0 C--N 1.282 -2.329 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.172 174.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -71.11 165.3 23.84 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.94 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -76.69 155.87 32.98 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -78.75 92.81 4.85 Favored 'General case' 0 C--O 1.25 1.102 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.981 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -176.3 -177.39 0.86 Allowed 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 126.63 1.972 . . . . 0.0 106.749 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -88.12 2.8 51.21 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 122.544 1.164 . . . . 0.0 110.725 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -98.49 142.72 29.75 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.475 -178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.22 179.05 6.12 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.464 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 23.8 p -101.76 171.53 7.48 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.214 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -60.73 -37.09 80.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.558 1.171 . . . . 0.0 110.716 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.409 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 20.6 m-20 -64.62 -38.08 89.78 Favored 'General case' 0 CA--C 1.5 -0.942 0 CA-C-N 112.897 -1.956 . . . . 0.0 111.974 175.169 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.464 ' HB2' ' H ' ' A' ' 11' ' ' THR . 8.7 mm100 -73.64 -38.41 65.01 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.449 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.586 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 76.5 t -72.71 -38.48 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.358 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.185 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.409 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.2 mtmt -57.4 -49.96 74.51 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.16 -26.18 68.19 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.586 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.7 pt20 -71.3 -51.28 25.3 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-O 122.201 1.0 . . . . 0.0 108.901 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD13 HG22 ' A' ' 34' ' ' ILE . 56.7 mt -66.67 -35.87 81.18 Favored 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 113.134 -1.848 . . . . 0.0 112.068 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 18.0 m -57.5 -51.01 71.19 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.917 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 25.2 tt0 -62.77 -42.11 99.54 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.685 0.755 . . . . 0.0 110.463 -174.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.423 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 25.1 m -64.78 -45.78 84.89 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.698 -176.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.78 89.62 Favored Glycine 0 C--O 1.209 -1.444 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 27.2 mmmt -64.31 -34.76 78.89 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.951 -0.625 . . . . 0.0 112.393 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 60.2 mtpt -76.89 -37.73 54.9 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.204 0.526 . . . . 0.0 111.295 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 22' ' ' SER . 87.5 mtt180 -85.13 -46.64 10.93 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 122.189 0.995 . . . . 0.0 111.819 -175.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.67 5.77 44.61 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 -174.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.509 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 8.3 p -162.5 156.39 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.923 0 CA-C-N 115.313 -0.444 . . . . 0.0 110.169 -174.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.475 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 67.3 mt -150.55 142.2 23.62 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 174.284 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.409 ' CG2' HG13 ' A' ' 63' ' ' ILE . 39.4 p -74.1 139.67 44.76 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.281 170.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.422 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 70.7 m-85 -51.31 -40.65 59.47 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.646 0.736 . . . . 0.0 110.394 178.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -82.11 -25.34 34.55 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.7 -25.71 62.2 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 118.576 -1.249 . . . . 0.0 107.799 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.447 HG22 HD13 ' A' ' 19' ' ' LEU . 84.5 mt -67.49 -42.91 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-N 113.954 -1.476 . . . . 0.0 109.211 175.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.29 -28.81 67.51 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.266 1.027 . . . . 0.0 111.334 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -51.6 68.89 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 123.707 0.803 . . . . 0.0 110.411 -175.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -69.95 -24.5 63.36 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.965 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.3 mmt -84.38 -6.64 59.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 m -61.34 -27.46 68.52 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.386 0.613 . . . . 0.0 109.934 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -60.86 -29.89 69.8 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.859 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.49 ' HB2' HG12 ' A' ' 43' ' ' ILE . 28.5 m-85 -110.36 -5.43 15.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.289 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 60.26 39.03 19.54 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.083 0.953 . . . . 0.0 111.253 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG12 ' HB2' ' A' ' 41' ' ' PHE . 45.1 mm -63.68 126.91 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.741 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -75.89 159.85 30.52 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.504 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -57.43 -34.49 69.01 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 123.859 0.864 . . . . 0.0 111.297 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.83 -49.36 73.15 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 121.427 0.632 . . . . 0.0 109.607 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.02 -37.12 86.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.516 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.492 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -59.35 -42.0 90.52 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.694 176.73 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.408 ' HA ' ' CD1' ' A' ' 52' ' ' TYR . 23.5 t70 -61.78 -38.56 88.52 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.666 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.4 -40.02 89.44 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.604 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.426 ' CE2' HD12 ' A' ' 55' ' ' LEU . 23.1 t80 -71.09 -36.68 72.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.334 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.408 ' CD1' ' HA ' ' A' ' 49' ' ' ASP . 23.0 m-85 -62.54 -42.6 99.63 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.578 0.704 . . . . 0.0 110.699 -179.088 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.22 -38.87 92.85 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.507 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.4 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 37.4 t80 -60.96 -51.6 68.59 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.941 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.426 HD12 ' CE2' ' A' ' 51' ' ' TYR . 96.9 mt -57.75 -39.86 78.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.155 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.37 -41.63 98.56 Favored Glycine 0 CA--C 1.511 -0.218 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.516 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -65.17 -31.19 72.25 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.424 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 79.8 mm-40 -78.35 -47.9 16.71 Favored 'General case' 0 C--O 1.227 -0.131 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.83 51.64 0.06 OUTLIER Glycine 0 C--N 1.308 -1.02 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.44 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.4 t -133.31 128.01 54.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 46.8 mt-10 -89.97 140.06 29.99 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 172.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.475 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.6 mm? -102.8 116.75 33.17 Favored 'General case' 0 N--CA 1.41 -2.462 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.758 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.409 HG13 ' CG2' ' A' ' 30' ' ' THR . 4.6 pt -88.13 165.5 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.623 0 CA-C-O 122.145 0.974 . . . . 0.0 111.739 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.2 m -86.5 0.83 53.44 Favored 'General case' 0 C--N 1.256 -3.475 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -173.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -44.95 0.55 Allowed 'General case' 0 N--CA 1.508 2.433 0 C-N-CA 123.884 0.874 . . . . 0.0 110.167 177.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -56.0 -38.82 70.98 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 172.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -107.33 143.28 35.84 Favored 'General case' 0 N--CA 1.407 -2.595 0 CA-C-N 113.078 -1.874 . . . . 0.0 107.355 172.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -168.0 121.85 0.93 Allowed 'General case' 0 C--N 1.269 -2.92 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 p -143.41 31.64 1.34 Allowed 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.288 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -83.3 -21.83 33.14 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -142.34 122.56 13.84 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.119 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.3 mt -123.77 9.81 8.91 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 173.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -102.76 -12.34 17.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.648 -175.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 69.46 66.79 0.26 Allowed 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -170.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -76.33 134.6 39.67 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 113.508 -1.678 . . . . 0.0 112.272 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 . . . . . 0 C--N 1.302 -1.496 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 175.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.509 ' H2 ' ' CD ' ' A' ' 17' ' ' GLU . . . . . . . . 0 CA--C 1.505 -0.785 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -158.97 -16.82 0.07 Allowed 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -133.15 -174.47 3.5 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.536 ' OE1' ' HG ' ' A' ' 10' ' ' LEU . 26.9 tp60 65.95 81.08 0.21 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.36 1.076 . . . . 0.0 111.701 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -124.94 63.96 1.13 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 114.411 -1.268 . . . . 0.0 108.778 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 79.4 10.58 1.46 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.525 1.53 . . . . 0.0 114.412 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.4 165.38 24.66 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -90.42 122.82 33.62 Favored 'General case' 0 N--CA 1.411 -2.381 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 176.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.272 50.6 mt-10 76.23 140.6 0.07 Allowed 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 126.043 1.737 . . . . 0.0 113.046 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.536 ' HG ' ' OE1' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -110.89 -172.88 2.12 Favored 'General case' 0 N--CA 1.416 -2.163 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.77 -170.261 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.502 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 14.7 p -98.77 173.56 6.82 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -64.02 -39.54 94.33 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 122.742 1.258 . . . . 0.0 110.043 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -67.45 -34.58 77.49 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 112.586 -2.097 . . . . 0.0 112.571 175.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.502 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 14.8 mm100 -73.58 -37.75 65.39 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 ' HB2' ' A' ' 10' ' ' LEU . 54.6 t -71.99 -39.93 67.12 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.454 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -177.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -55.62 -49.21 73.44 Favored 'General case' 0 N--CA 1.415 -2.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.884 171.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' CD ' ' H2 ' ' A' ' 1' ' ' ALA . 71.6 mt-10 -62.79 -27.6 69.41 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -68.24 -58.05 5.03 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.447 ' O ' HD11 ' A' ' 29' ' ' LEU . 34.8 mt -64.27 -41.9 96.71 Favored 'General case' 0 N--CA 1.407 -2.586 0 CA-C-N 113.568 -1.651 . . . . 0.0 111.875 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.5 m -59.92 -52.82 63.8 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.901 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.5 tt0 -64.33 -38.79 92.3 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.927 0.87 . . . . 0.0 110.232 -174.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.9 m -64.92 -47.08 79.01 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.542 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.52 -33.1 85.44 Favored Glycine 0 C--O 1.2 -1.994 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 28.8 mmmt -66.93 -29.97 69.99 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 177.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 94.8 mttt -76.6 -46.17 27.18 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 122.021 0.915 . . . . 0.0 109.637 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -77.06 -48.01 19.02 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.304 -173.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.45 6.74 50.15 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 113.615 -1.63 . . . . 0.0 109.121 -174.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -160.26 156.83 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 CA-C-N 115.162 -0.519 . . . . 0.0 111.269 -171.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 58.9 mt -151.59 136.37 17.17 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 125.104 1.362 . . . . 0.0 108.254 174.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.515 HG21 HG13 ' A' ' 63' ' ' ILE . 38.8 p -80.99 144.65 31.66 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 117.927 0.33 . . . . 0.0 110.275 173.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.4 ' HD1' ' CZ ' ' A' ' 52' ' ' TYR . 98.4 m-85 -56.34 -37.94 70.67 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.034 0.445 . . . . 0.0 110.828 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.58 -39.93 95.27 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.354 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.4 pt-20 -77.47 -28.05 52.17 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -176.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 30' ' ' THR . 85.3 mt -67.35 -47.68 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.003 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.4 -28.5 67.97 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.749 0.82 . . . . 0.0 110.647 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.89 -55.54 32.87 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.859 -174.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -71.46 -21.86 61.9 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.684 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.1 mmt -85.56 -7.48 58.84 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.104 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.5 m -64.9 -21.94 66.91 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -65.59 -37.3 86.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.42 0.628 . . . . 0.0 109.513 175.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -90.33 -25.37 20.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.94 -177.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 68.62 62.17 0.35 Allowed 'General case' 0 C--O 1.243 0.752 0 C-N-CA 124.752 1.221 . . . . 0.0 109.365 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 38.2 mm -87.03 127.94 40.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 113.917 -1.492 . . . . 0.0 108.918 -178.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -79.88 168.05 19.76 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 123.736 0.814 . . . . 0.0 111.75 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -60.18 -35.03 74.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.97 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.72 -49.06 76.33 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.131 0.967 . . . . 0.0 110.131 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -72.48 -39.94 67.32 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.893 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.467 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -62.8 -38.36 90.38 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.26 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.94 -48.04 64.46 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.417 1.087 . . . . 0.0 111.421 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.14 -33.49 75.56 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.949 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -70.5 -37.14 74.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' CZ ' ' HD1' ' A' ' 31' ' ' TYR . 22.6 m-85 -61.26 -44.04 97.89 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.818 0.818 . . . . 0.0 109.635 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 39.8 tt0 -62.82 -42.71 99.84 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 113.822 -1.535 . . . . 0.0 109.603 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.484 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 42.3 t80 -59.44 -50.9 72.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.447 176.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.8 mt -56.98 -43.44 81.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.509 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.61 -39.45 95.12 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.626 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 20.6 mm-40 -64.44 -34.13 77.48 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 120.951 0.405 . . . . 0.0 111.612 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 22.3 mm-40 -77.21 -46.57 22.82 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.83 50.05 0.06 OUTLIER Glycine 0 C--N 1.298 -1.56 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.684 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 26.6 t -131.92 127.32 58.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.93 130.21 38.59 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.523 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -92.92 109.24 20.68 Favored 'General case' 0 N--CA 1.427 -1.617 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.275 -179.326 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.515 HG13 HG21 ' A' ' 30' ' ' THR . 33.0 pt -91.82 161.7 2.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-O 121.733 0.778 . . . . 0.0 112.621 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -78.94 0.61 26.77 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -170.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.464 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 2.7 tm-20 79.04 -41.72 0.28 Allowed 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 123.984 0.914 . . . . 0.0 110.304 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -65.79 -18.56 65.42 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 122.135 0.969 . . . . 0.0 109.77 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.482 ' CG ' ' HB ' ' A' ' 63' ' ' ILE . 17.1 pt-20 -115.78 150.86 36.24 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 176.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' HB2' ' HG2' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -157.93 165.37 35.34 Favored 'General case' 0 C--N 1.288 -2.079 0 O-C-N 123.436 0.46 . . . . 0.0 110.511 178.374 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 p -135.01 28.41 3.49 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' HG2' ' HB2' ' A' ' 68' ' ' GLU . 4.0 mm-40 -100.47 -6.7 25.15 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.842 -169.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.1 -1.28 57.93 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.964 0.888 . . . . 0.0 109.725 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.0 mt -73.96 -38.34 64.24 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.624 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.17 -174.17 2.47 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -139.12 162.68 34.37 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -63.04 -37.01 85.48 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 118.476 0.58 . . . . 0.0 110.113 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.0 t60 . . . . . 0 N--CA 1.43 -1.443 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 175.438 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.524 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -150.26 -178.88 6.77 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HB2' ' HZ3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -124.53 154.43 40.59 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 178.79 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -50.02 -72.8 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 O-C-N 123.849 0.718 . . . . 0.0 111.407 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.5 p -144.25 -63.43 0.37 Allowed 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -133.72 -166.97 1.86 Allowed 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 104.559 -2.386 . . . . 0.0 104.559 173.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -81.98 84.32 6.99 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 122.567 1.175 . . . . 0.0 108.823 172.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 9' ' ' GLU . 17.0 m -128.52 -163.85 1.32 Allowed 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 103.878 -2.638 . . . . 0.0 103.878 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.479 ' H ' HG23 ' A' ' 8' ' ' THR . 33.3 mt-10 -65.77 135.48 54.96 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 119.681 1.128 . . . . 0.0 109.325 173.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.07 179.99 5.56 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.4 p -99.56 175.53 5.8 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.25 -35.42 80.98 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 122.626 1.203 . . . . 0.0 110.505 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.9 -40.45 97.6 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 112.639 -2.073 . . . . 0.0 111.495 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' HA ' ' OE1' ' A' ' 14' ' ' GLN . 15.7 mm-40 -75.78 -35.68 60.03 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.532 0.682 . . . . 0.0 110.765 -177.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.4 t -72.51 -39.58 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.547 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.169 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -56.39 -49.98 72.9 Favored 'General case' 0 N--CA 1.412 -2.34 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.257 0.4 OUTLIER -63.99 -22.05 66.76 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 176.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.2 pt20 -70.06 -48.89 55.97 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.421 HD11 HG22 ' A' ' 34' ' ' ILE . 53.4 mt -68.08 -38.39 82.3 Favored 'General case' 0 N--CA 1.405 -2.681 0 CA-C-N 113.259 -1.791 . . . . 0.0 112.479 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.0 m -57.14 -53.33 59.28 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 124.009 0.818 . . . . 0.0 108.85 177.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.1 tt0 -62.76 -43.04 99.84 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.279 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.1 m -63.71 -47.41 81.22 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.47 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.96 92.74 Favored Glycine 0 C--O 1.205 -1.691 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.9 mmmt -65.76 -32.2 73.61 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 29.6 mtpp -74.68 -35.68 62.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.449 0.642 . . . . 0.0 111.074 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -86.55 -54.58 4.32 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 122.183 0.992 . . . . 0.0 112.288 -176.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.95 -0.16 27.13 Favored Glycine 0 N--CA 1.426 -2.023 0 CA-C-N 113.357 -1.747 . . . . 0.0 109.739 -173.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.2 p -159.79 158.42 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.675 0 CA-C-N 115.431 -0.384 . . . . 0.0 110.317 -173.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.4 mt -149.25 139.19 22.0 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 124.733 1.213 . . . . 0.0 108.401 174.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.412 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 25.5 p -75.92 141.02 42.4 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 171.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.412 ' HD2' ' CZ ' ' A' ' 52' ' ' TYR . 59.6 m-85 -53.27 -41.79 65.88 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.13 0.49 . . . . 0.0 112.079 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -70.18 -33.73 72.1 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.3 pt-20 -74.67 -22.74 58.71 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 119.222 -0.991 . . . . 0.0 109.069 -176.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.421 HG22 HD11 ' A' ' 19' ' ' LEU . 89.5 mt -71.66 -41.56 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.458 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.78 -28.32 68.29 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.06 0.944 . . . . 0.0 110.917 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.78 -53.04 62.54 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.052 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -71.79 -23.39 61.56 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.329 -177.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.8 mmt -84.92 -6.43 59.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.755 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -76.03 -12.99 60.23 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.151 0.501 . . . . 0.0 109.727 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -72.93 -25.93 61.21 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 173.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -105.38 -171.36 1.9 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -122.62 91.59 3.53 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 173.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.9 mm -112.13 122.52 66.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.802 -175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.413 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 42.9 mt-10 -70.51 154.39 41.93 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.22 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.0 t -63.26 -26.65 68.88 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.4 0.619 . . . . 0.0 109.498 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.46 -45.0 95.05 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.349 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.413 ' HG3' ' HB2' ' A' ' 44' ' ' GLU . 16.1 mt-30 -72.55 -35.82 68.11 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.274 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.48 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -57.68 -41.63 81.98 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.573 177.466 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.56 -35.82 80.69 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.883 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.7 -43.02 94.27 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -69.44 -39.0 78.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.146 177.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.412 ' CZ ' ' HD2' ' A' ' 31' ' ' TYR . 23.0 m-85 -61.58 -44.67 96.59 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 120.985 0.421 . . . . 0.0 111.4 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.52 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 35.4 tt0 -64.49 -39.21 93.37 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.699 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.98 -51.3 70.23 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 123.944 0.777 . . . . 0.0 109.712 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.1 mt -56.61 -45.23 81.58 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.55 179.238 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.25 -40.46 97.4 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.749 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.52 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 89.9 mt-10 -65.73 -32.31 73.79 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 177.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -78.44 -43.45 27.2 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.18 40.8 0.1 Allowed Glycine 0 C--N 1.294 -1.787 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.195 176.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 23.7 t -125.27 124.53 67.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 51.7 mt-10 -91.52 135.82 33.58 Favored 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -99.25 116.11 30.69 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.184 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.1 pt -98.05 169.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.485 175.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.1 t -66.0 -90.64 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 123.216 0.606 . . . . 0.0 112.199 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 4.2 tm-20 175.9 -32.22 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 124.817 1.247 . . . . 0.0 108.079 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.0 -10.47 59.5 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 122.428 1.109 . . . . 0.0 110.449 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -123.89 157.75 33.51 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.867 -177.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -176.16 180.0 1.19 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 103.3 -2.852 . . . . 0.0 103.3 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 p -121.9 -6.26 9.03 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 118.94 0.791 . . . . 0.0 111.766 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -70.41 -31.67 68.97 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -102.4 84.71 2.49 Favored 'General case' 0 N--CA 1.413 -2.308 0 CA-C-O 122.187 0.994 . . . . 0.0 111.912 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.76 0.53 9.83 Favored 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 113.362 -1.745 . . . . 0.0 106.538 169.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -158.55 12.98 0.17 Allowed 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.442 -176.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -92.59 -31.33 15.21 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.98 -72.47 0.11 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.765 172.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.4 t60 . . . . . 0 C--O 1.234 0.26 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 175.599 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.573 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -115.07 87.74 2.72 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.663 0.744 . . . . 0.0 109.797 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.428 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 35.9 mmtp -114.45 -4.53 12.9 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.126 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.411 ' HG2' HE21 ' A' ' 14' ' ' GLN . 12.6 pt20 -86.15 69.07 10.46 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 122.149 0.976 . . . . 0.0 111.757 -175.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -95.93 4.93 52.32 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.269 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.404 ' CG ' ' HB2' ' A' ' 9' ' ' GLU . 12.1 t-160 -99.98 151.13 21.7 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.04 91.09 0.09 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -177.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 m 65.67 5.48 3.34 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.415 1.486 . . . . 0.0 112.436 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.404 ' HB2' ' CG ' ' A' ' 6' ' ' HIS . 30.2 mm-40 -98.01 125.52 43.0 Favored 'General case' 0 C--N 1.271 -2.814 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 175.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.445 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -108.04 172.06 7.05 Favored 'General case' 0 N--CA 1.409 -2.476 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -174.515 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.469 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 33.8 p -105.75 179.17 4.35 Favored 'General case' 0 N--CA 1.411 -2.38 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -61.23 -36.67 80.59 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.106 0.955 . . . . 0.0 111.536 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -63.04 -42.4 99.72 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 113.595 -1.638 . . . . 0.0 110.722 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.469 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 11.4 mm100 -73.18 -40.14 65.03 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.184 -172.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 70.3 t -70.78 -38.39 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.899 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -56.95 -47.08 81.51 Favored 'General case' 0 N--CA 1.408 -2.559 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.332 173.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.5 -28.0 69.53 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.1 pt20 -70.61 -51.21 29.74 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.082 0.944 . . . . 0.0 108.763 -178.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.417 HD12 HG23 ' A' ' 34' ' ' ILE . 29.4 mt -66.69 -42.34 86.64 Favored 'General case' 0 N--CA 1.416 -2.168 0 CA-C-N 113.642 -1.617 . . . . 0.0 112.245 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -57.77 -50.88 71.77 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.051 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -63.15 -40.44 97.58 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.604 0.716 . . . . 0.0 109.649 -176.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.0 m -63.13 -45.33 92.44 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.609 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.95 -35.92 92.47 Favored Glycine 0 N--CA 1.425 -2.068 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.4 mmmt -64.55 -36.54 84.56 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.3 mtpt -76.05 -32.17 59.18 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.139 0.495 . . . . 0.0 111.451 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -89.75 -52.76 4.83 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 122.577 1.179 . . . . 0.0 112.48 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.26 -1.01 26.71 Favored Glycine 0 N--CA 1.434 -1.484 0 CA-C-N 113.454 -1.703 . . . . 0.0 109.955 -174.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 11.2 p -159.45 150.66 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 CA-C-O 121.071 0.462 . . . . 0.0 111.053 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 60.9 mt -138.08 145.45 41.73 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.849 175.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.466 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 32.1 p -79.68 139.37 37.4 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -54.61 -36.89 64.94 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 121.131 0.491 . . . . 0.0 111.546 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -78.64 -26.77 45.25 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -172.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.9 pt-20 -74.38 -26.14 59.92 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.417 HG23 HD12 ' A' ' 19' ' ' LEU . 81.6 mt -68.95 -43.04 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.687 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.609 176.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.01 -33.42 74.57 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.827 0.822 . . . . 0.0 110.209 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 29.0 tt0 -59.39 -51.87 68.05 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 125.325 1.45 . . . . 0.0 111.631 -173.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -72.47 -21.7 61.18 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.038 0.447 . . . . 0.0 110.676 -177.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.7 mmt -85.6 2.7 43.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.639 -178.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.4 p -66.22 -17.51 64.78 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.3 0.572 . . . . 0.0 111.973 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.9 m -74.21 -20.74 60.09 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 121.564 0.697 . . . . 0.0 109.644 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -112.64 -177.57 3.18 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -119.68 72.83 0.93 Allowed 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.8 mm -92.59 119.7 40.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.153 -174.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.99 156.61 39.04 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.183 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.7 m -60.45 -27.51 67.58 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.57 -46.19 80.4 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -66.51 -38.92 88.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.34 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.432 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -61.09 -40.53 94.07 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.303 177.544 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.08 -35.93 81.9 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.184 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.69 -43.34 99.05 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.685 0.755 . . . . 0.0 109.153 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -68.22 -36.59 79.74 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.271 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -62.85 -40.25 96.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.995 0.426 . . . . 0.0 110.401 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.97 -45.63 88.24 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.767 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.434 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 44.9 t80 -56.81 -50.32 72.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.706 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 91.7 mt -57.94 -43.26 86.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.365 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.49 -40.76 98.16 Favored Glycine 0 C--O 1.241 0.532 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.231 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.73 -33.86 76.6 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 123.292 0.637 . . . . 0.0 112.3 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 73.7 mm-40 -79.8 -39.5 30.69 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.2 43.43 0.15 Allowed Glycine 0 C--N 1.303 -1.27 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.647 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.4 t -127.28 125.04 65.31 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 46.5 mt-10 -92.57 142.42 27.42 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 174.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.6 121.45 42.95 Favored 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.221 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.6 pt -103.41 171.73 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.659 175.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.5 t -68.36 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 O-C-N 123.286 0.366 . . . . 0.0 111.64 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.427 ' C ' ' H ' ' A' ' 67' ' ' GLU . 38.8 tt0 173.47 -34.43 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 125.327 1.451 . . . . 0.0 107.704 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -81.68 16.85 1.62 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 122.421 1.105 . . . . 0.0 109.817 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.427 ' H ' ' C ' ' A' ' 65' ' ' GLU . 16.5 pt-20 -140.67 151.05 44.26 Favored 'General case' 0 N--CA 1.413 -2.292 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.069 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -151.44 162.14 41.47 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 p -86.48 0.01 55.1 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 122.142 0.972 . . . . 0.0 109.556 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -79.26 0.07 30.2 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.656 -175.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -73.25 -13.51 61.15 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 122.99 1.376 . . . . 0.0 109.69 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.6 mt -94.93 8.78 41.69 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.077 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 53.19 92.86 0.02 OUTLIER 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.414 1.085 . . . . 0.0 113.142 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -96.43 -75.46 0.53 Allowed 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -175.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -85.16 -79.76 0.22 Allowed 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -173.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 . . . . . 0 C--N 1.297 -1.69 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -177.591 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-O 120.797 0.332 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.542 ' OD1' ' HB3' ' A' ' 13' ' ' ASP . 12.1 p-10 -136.16 -160.09 1.02 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -173.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -132.39 131.89 42.28 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.492 ' HB3' ' HG3' ' A' ' 14' ' ' GLN . 28.1 pt20 -65.18 115.38 5.47 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 174.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.5 t -89.28 -8.71 52.82 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.817 0.818 . . . . 0.0 109.22 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.485 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 24.6 m170 -101.33 151.07 22.33 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -93.61 118.42 31.35 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m 68.71 18.44 8.71 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-O 122.661 1.219 . . . . 0.0 109.91 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.485 ' O ' ' HB2' ' A' ' 6' ' ' HIS . 37.8 mm-40 -140.66 118.77 11.95 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.304 -1.316 . . . . 0.0 107.928 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.477 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -105.54 175.48 5.48 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.529 -174.114 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.487 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 49.0 p -100.67 178.13 4.8 Favored 'General case' 0 N--CA 1.411 -2.403 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.5 -38.78 87.98 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.654 1.216 . . . . 0.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.542 ' HB3' ' OD1' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -65.86 -34.99 79.41 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 112.728 -2.033 . . . . 0.0 111.986 175.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.492 ' HG3' ' HB3' ' A' ' 4' ' ' GLN . 26.3 mm-40 -73.32 -40.23 64.65 Favored 'General case' 0 CA--C 1.494 -1.189 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.361 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.0 t -70.54 -36.79 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.924 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.1 mtmt -57.22 -47.25 81.79 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.639 171.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.17 -30.13 70.84 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.8 pt20 -70.36 -50.4 39.33 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 122.286 1.041 . . . . 0.0 108.702 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.442 HD13 HG22 ' A' ' 34' ' ' ILE . 27.8 mt -66.18 -39.26 89.59 Favored 'General case' 0 N--CA 1.411 -2.401 0 CA-C-N 113.488 -1.687 . . . . 0.0 112.307 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.415 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 17.0 m -58.82 -52.55 65.22 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.848 0.717 . . . . 0.0 110.538 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 10.1 tp10 -63.7 -41.12 98.16 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.111 0.957 . . . . 0.0 110.199 -175.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 24.0 m -65.35 -43.97 89.16 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.504 -177.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.24 -34.23 88.97 Favored Glycine 0 C--O 1.206 -1.608 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.8 mmmt -64.34 -33.76 76.58 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 177.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.9 mtpp -74.82 -39.63 61.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.076 0.941 . . . . 0.0 110.336 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 22' ' ' SER . 95.0 mtt180 -82.95 -44.2 15.58 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.715 -173.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.76 7.95 58.53 Favored Glycine 0 N--CA 1.423 -2.182 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 -175.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 8.9 p -166.66 156.72 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -2.019 0 CA-C-N 115.114 -0.543 . . . . 0.0 110.582 -173.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.2 mt -149.52 137.47 20.43 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 124.787 1.235 . . . . 0.0 108.108 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.509 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 27.2 p -76.74 141.84 40.67 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -56.21 -41.87 76.29 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 121.442 0.639 . . . . 0.0 110.948 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.61 -16.45 61.24 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -174.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.5 pt-20 -88.86 -25.25 22.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 118.876 -1.13 . . . . 0.0 108.007 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.442 HG22 HD13 ' A' ' 19' ' ' LEU . 79.8 mt -68.82 -41.56 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 176.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.18 -28.6 67.41 Favored 'General case' 0 N--CA 1.432 -1.358 0 C-N-CA 124.395 1.078 . . . . 0.0 110.296 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -62.09 -48.3 80.79 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 124.764 1.226 . . . . 0.0 110.655 -174.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 8.8 mmt85 -73.39 -27.52 61.51 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.981 0.419 . . . . 0.0 110.95 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 24.6 mmt -83.18 -9.12 59.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.596 -177.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.1 m -59.09 -29.88 67.68 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 122.581 0.352 . . . . 0.0 111.279 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 m -63.26 -32.9 74.42 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -93.75 -26.78 16.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.301 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 63.76 72.28 0.47 Allowed 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.856 0.862 . . . . 0.0 109.031 -173.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 36.1 mm -86.82 133.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.148 -175.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.91 151.47 46.67 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.768 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -60.52 -29.18 68.95 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.067 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.98 -53.52 57.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.44 0.696 . . . . 0.0 109.923 175.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.432 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 8.1 mt-30 -72.35 -32.09 66.18 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.253 -177.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.465 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.2 OUTLIER -62.83 -47.65 82.51 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.662 178.74 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.71 -42.23 88.2 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.146 0.578 . . . . 0.0 109.97 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.14 -43.4 95.76 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.399 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -68.45 -38.65 81.33 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.873 177.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -61.99 -41.83 98.47 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.33 0.586 . . . . 0.0 111.196 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 30.2 tt0 -64.97 -42.11 94.85 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.436 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.443 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 40.3 t80 -57.2 -51.3 69.87 Favored 'General case' 0 N--CA 1.444 -0.739 0 O-C-N 123.659 0.599 . . . . 0.0 110.383 175.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 80.1 mt -57.57 -41.55 81.31 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.143 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.86 -38.24 95.02 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.7 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.6 mm-40 -63.33 -36.83 84.98 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 122.656 0.382 . . . . 0.0 111.921 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 63.4 mm-40 -77.97 -44.85 25.54 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -177.169 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.09 36.45 0.1 OUTLIER Glycine 0 C--N 1.304 -1.207 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.177 174.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.472 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.4 t -119.96 126.02 74.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 39.9 mt-10 -90.68 133.07 35.41 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -100.07 111.95 24.24 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.129 -178.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.412 HG13 HG21 ' A' ' 30' ' ' THR . 33.8 pt -98.18 169.95 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.625 177.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -67.11 -86.1 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.266 0.555 . . . . 0.0 112.327 179.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' C ' ' H ' ' A' ' 67' ' ' GLU . 37.6 tt0 160.02 -25.79 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 -178.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -80.06 17.1 1.05 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 113.519 -1.673 . . . . 0.0 109.684 172.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' A' ' 65' ' ' GLU . 16.4 pt-20 -156.52 152.37 27.25 Favored 'General case' 0 N--CA 1.425 -1.698 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.434 ' OE1' ' HB2' ' A' ' 71' ' ' ASP . 30.5 tt0 -177.23 125.25 0.14 Allowed 'General case' 0 C--N 1.296 -1.72 0 O-C-N 124.327 1.017 . . . . 0.0 108.748 178.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.7 p -105.71 -14.56 15.21 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-O 121.558 0.694 . . . . 0.0 112.565 -174.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -77.1 -19.45 56.98 Favored 'General case' 0 C--N 1.291 -1.966 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.829 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.434 ' HB2' ' OE1' ' A' ' 68' ' ' GLU . 34.6 t70 -79.67 -13.93 59.14 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.447 -173.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.5 mt -75.54 -24.75 56.78 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.881 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -127.19 52.31 1.82 Allowed 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -68.45 -44.24 75.31 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.743 -1.572 . . . . 0.0 110.393 -175.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 63.96 -86.95 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.307 1.043 . . . . 0.0 110.425 -173.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 N--CA 1.427 -1.607 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 -179.524 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.497 0 CA-C-O 120.836 0.351 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -149.12 -170.74 3.71 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.434 ' HB3' ' HZ3' ' A' ' 3' ' ' LYS . 8.4 mtpm? -77.79 112.66 14.87 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 168.05 0.58 Allowed 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.997 0.81 . . . . 0.0 112.889 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -63.31 167.15 5.53 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.18 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -70.35 150.01 46.75 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 70.21 -160.9 0.16 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 124.417 1.087 . . . . 0.0 112.751 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 p -75.54 9.82 2.02 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -171.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -112.61 143.67 43.41 Favored 'General case' 0 C--N 1.276 -2.625 0 CA-C-O 120.964 0.412 . . . . 0.0 110.145 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.422 HD13 ' N ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -126.59 -179.1 4.62 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.759 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.495 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 12.4 p -96.26 174.88 6.67 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -64.22 -37.17 86.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.888 1.328 . . . . 0.0 110.199 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.61 -42.27 98.64 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 112.014 -2.357 . . . . 0.0 110.483 174.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.495 ' HB2' ' H ' ' A' ' 11' ' ' THR . 16.4 mm100 -76.44 -35.04 58.71 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.909 -175.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.562 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 44.4 t -72.29 -40.0 64.58 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.623 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -55.84 -47.76 76.66 Favored 'General case' 0 N--CA 1.411 -2.408 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.25 53.7 mt-10 -65.15 -24.99 67.55 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.562 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.8 pt20 -70.93 -49.9 40.62 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.31 -41.39 96.86 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 113.574 -1.648 . . . . 0.0 111.549 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 8.5 m -60.59 -50.83 71.96 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.522 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.619 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.7 tp10 -60.4 -44.38 95.74 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 m -62.09 -49.31 76.44 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.429 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.66 -35.5 92.12 Favored Glycine 0 C--O 1.211 -1.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.301 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.5 mmmt -64.76 -31.32 72.49 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.816 0.362 . . . . 0.0 111.344 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.619 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.6 mtpp -74.53 -43.31 56.42 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.721 0.772 . . . . 0.0 110.213 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -78.27 -48.13 16.39 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.53 -173.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.54 9.37 47.1 Favored Glycine 0 N--CA 1.42 -2.411 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -173.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -164.94 156.75 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.723 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.23 -173.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.535 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 56.4 mt -152.65 135.22 15.26 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 125.07 1.348 . . . . 0.0 108.051 174.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.485 ' O ' ' HG2' ' A' ' 33' ' ' GLU . 33.6 p -75.99 144.88 40.67 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 172.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -56.01 -37.31 68.97 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 121.664 0.745 . . . . 0.0 110.788 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.25 -28.69 63.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 30' ' ' THR . 12.9 pt-20 -79.22 -28.85 42.53 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 30' ' ' THR . 83.9 mt -66.15 -42.55 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.52 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.29 73.3 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 123.84 0.856 . . . . 0.0 110.719 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.76 -44.01 97.31 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.394 -172.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 mmt-85 -70.94 -25.45 62.74 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.665 0.745 . . . . 0.0 110.033 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.3 mmt -82.42 1.33 37.91 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.979 -175.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.8 p -71.71 -14.15 61.94 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 122.059 0.933 . . . . 0.0 109.757 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 m -67.13 -29.93 69.8 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.009 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -115.79 -172.1 2.1 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.935 0.894 . . . . 0.0 108.88 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.35 83.78 2.04 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.3 mm -95.9 125.21 48.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-O 122.139 0.971 . . . . 0.0 110.231 -176.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -78.55 168.52 19.66 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.686 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -67.06 -34.33 77.43 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -71.99 -36.74 69.86 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-O 121.756 0.788 . . . . 0.0 109.508 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -64.6 -45.07 88.5 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 114.084 -1.416 . . . . 0.0 109.236 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.1 mmt -63.57 -47.48 81.32 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.963 176.102 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.454 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 35.5 t70 -63.07 -38.25 90.43 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.3 -36.57 84.54 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.433 ' CE2' HD12 ' A' ' 55' ' ' LEU . 23.6 t80 -69.09 -37.03 78.21 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.492 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.454 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 22.9 m-85 -61.84 -42.47 99.08 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.22 0.533 . . . . 0.0 110.465 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.1 tp10 -64.08 -45.74 87.38 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.292 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 49.4 t80 -55.59 -51.14 68.13 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.247 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD12 ' CE2' ' A' ' 51' ' ' TYR . 82.3 mt -57.14 -42.03 80.21 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.237 0.542 . . . . 0.0 111.582 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.88 99.28 Favored Glycine 0 CA--C 1.503 -0.658 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.104 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 42.9 mt-10 -63.26 -35.05 79.04 Favored 'General case' 0 N--CA 1.427 -1.603 0 C-N-CA 122.676 0.391 . . . . 0.0 110.996 178.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 24.2 mm-40 -78.17 -48.93 14.81 Favored 'General case' 0 C--N 1.346 0.434 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.55 54.86 0.04 OUTLIER Glycine 0 C--N 1.301 -1.401 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.819 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.8 t -138.33 131.52 40.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -93.02 130.48 38.59 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.535 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -95.97 103.43 15.32 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.506 178.817 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.423 ' HB ' ' CG ' ' A' ' 67' ' ' GLU . 32.2 pt -89.73 172.33 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.993 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.437 ' O ' ' HB ' ' A' ' 30' ' ' THR . 47.7 t -67.79 -87.29 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.131 0.491 . . . . 0.0 112.033 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 170.41 -29.06 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 126.651 1.98 . . . . 0.0 105.74 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -68.71 -5.66 21.77 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.418 173.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 17.1 pt-20 -134.92 151.39 50.83 Favored 'General case' 0 N--CA 1.411 -2.386 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER 168.99 150.54 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 -179.533 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . 0.253 14.5 t -164.12 18.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.407 ' HG3' ' OE1' ' A' ' 68' ' ' GLU . 0.2 OUTLIER -118.12 -14.79 9.9 Favored 'General case' 0 C--N 1.283 -2.303 0 C-N-CA 119.189 -1.004 . . . . 0.0 109.846 176.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -100.5 -11.88 19.77 Favored 'General case' 0 CA--C 1.493 -1.218 0 CA-C-O 122.591 1.186 . . . . 0.0 109.104 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.9 -18.27 64.73 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 113.971 -1.468 . . . . 0.0 108.728 172.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -90.66 -11.74 38.9 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.613 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -92.54 92.26 7.97 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-O 122.36 1.076 . . . . 0.0 113.385 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -100.52 12.11 38.01 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 113.159 -1.837 . . . . 0.0 107.663 170.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 . . . . . 0 N--CA 1.425 -1.713 0 CA-C-N 114.132 -1.395 . . . . 0.0 109.381 -178.826 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.474 ' OD1' ' HG3' ' A' ' 3' ' ' LYS . 22.1 t70 -124.92 -65.11 1.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.474 ' HG3' ' OD1' ' A' ' 2' ' ' ASP . 63.7 mttp -136.0 172.89 12.35 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 122.628 0.371 . . . . 0.0 110.466 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 4.7 pt20 -81.31 -171.34 3.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.041 0.448 . . . . 0.0 111.672 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 p -85.31 -176.27 6.06 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.771 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -72.23 -19.89 61.64 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.6 -167.59 1.9 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.7 p -85.92 5.82 31.29 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.743 0.783 . . . . 0.0 110.802 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 4' ' ' GLN . 16.0 mm-40 -92.18 149.45 21.47 Favored 'General case' 0 N--CA 1.409 -2.487 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.392 -173.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -121.22 175.59 6.04 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -177.259 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.637 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 8.0 p -100.98 178.22 4.73 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.78 -37.85 88.3 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.845 1.307 . . . . 0.0 110.851 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -62.31 -42.34 99.29 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 112.398 -2.183 . . . . 0.0 109.878 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.637 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 12.0 mm100 -75.97 -34.83 59.81 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.421 -171.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.559 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 54.9 t -71.02 -42.08 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -55.84 -47.62 76.95 Favored 'General case' 0 N--CA 1.418 -2.03 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.939 172.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.53 -29.98 70.35 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.559 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 1.9 pt20 -69.97 -49.59 50.15 Favored 'General case' 0 CA--C 1.481 -1.694 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -178.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.49 ' O ' HD13 ' A' ' 29' ' ' LEU . 33.1 mt -66.34 -41.26 89.83 Favored 'General case' 0 N--CA 1.404 -2.766 0 CA-C-N 113.55 -1.659 . . . . 0.0 112.008 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.525 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 23.5 m -58.37 -55.6 32.98 Favored 'General case' 0 CA--C 1.501 -0.925 0 O-C-N 123.847 0.717 . . . . 0.0 109.347 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 36.2 tt0 -64.1 -41.79 97.15 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.909 -174.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.531 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 54.4 m -61.32 -48.19 82.48 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.155 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.48 89.77 Favored Glycine 0 C--O 1.206 -1.622 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.525 ' HG2' ' O ' ' A' ' 20' ' ' THR . 28.1 mmmt -63.94 -35.07 79.48 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 122.665 0.386 . . . . 0.0 111.53 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.4 mtpp -73.93 -47.71 35.83 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.733 0.778 . . . . 0.0 109.693 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.604 ' NH2' ' HB2' ' A' ' 70' ' ' GLU . 70.4 mtp180 -76.06 -47.0 26.36 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.339 -172.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.05 3.2 51.68 Favored Glycine 0 N--CA 1.425 -2.094 0 CA-C-N 113.472 -1.695 . . . . 0.0 109.072 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.9 p -160.99 157.16 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.898 0 CA-C-N 115.067 -0.566 . . . . 0.0 110.993 -172.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 19' ' ' LEU . 67.1 mt -152.1 132.02 13.35 Favored 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 124.632 1.173 . . . . 0.0 108.461 174.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.426 ' O ' HG13 ' A' ' 34' ' ' ILE . 22.5 p -72.16 141.88 49.1 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 118.429 0.559 . . . . 0.0 110.735 173.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -53.15 -33.35 52.12 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 122.788 0.435 . . . . 0.0 111.563 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.24 -41.08 74.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.356 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.8 pt-20 -74.99 -25.58 58.94 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.798 0.808 . . . . 0.0 109.525 -175.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 30' ' ' THR . 73.4 mt -69.68 -40.78 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.124 176.213 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -35.25 77.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.725 0.81 . . . . 0.0 110.298 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.77 -51.48 68.74 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.87 1.268 . . . . 0.0 112.034 -175.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -70.44 -29.39 65.96 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.731 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 mmt -82.54 -5.0 58.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.2 p -78.73 -2.08 37.65 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.575 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -72.08 -26.2 62.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 171.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.456 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.4 m-85 -112.52 -170.39 1.66 Allowed 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -114.48 75.98 0.96 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.456 HG12 ' HB2' ' A' ' 41' ' ' PHE . 29.4 mm -105.67 113.47 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.196 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -79.58 164.84 23.52 Favored 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 114.218 -1.356 . . . . 0.0 110.925 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 p -58.87 -32.02 69.09 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.043 0.937 . . . . 0.0 109.982 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.54 -49.61 72.19 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 125.256 1.422 . . . . 0.0 109.854 177.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -77.45 -37.75 50.86 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.057 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -56.14 -41.38 75.27 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.355 177.341 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.41 ' HA ' ' CD1' ' A' ' 52' ' ' TYR . 19.4 t70 -58.64 -38.41 78.01 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 124.442 1.097 . . . . 0.0 110.945 178.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.3 -39.4 89.32 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.39 -0.823 . . . . 0.0 108.893 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.421 ' CE2' HD12 ' A' ' 55' ' ' LEU . 25.2 t80 -70.2 -34.34 72.81 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.755 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.415 ' CZ ' ' HB3' ' A' ' 48' ' ' MET . 22.8 m-85 -62.19 -38.99 91.21 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.196 0.522 . . . . 0.0 110.946 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.01 -47.85 81.34 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.407 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 49.9 t80 -54.27 -52.8 60.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.956 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.5 mt -58.02 -43.39 86.69 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.371 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.66 96.87 Favored Glycine 0 CA--C 1.51 -0.278 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.236 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.72 -33.67 76.15 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 76.6 mm-40 -80.54 -46.88 15.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.01 -178.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.9 47.1 0.04 OUTLIER Glycine 0 C--N 1.308 -1.015 0 C-N-CA 119.96 -1.114 . . . . 0.0 112.766 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.427 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.7 t -136.87 124.03 31.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 42.5 mt-10 -91.31 131.15 37.0 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 174.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.422 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER -94.19 109.11 20.92 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.215 -178.915 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 30' ' ' THR . 23.2 pt -88.86 162.08 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.529 0 CA-C-O 122.918 1.342 . . . . 0.0 114.075 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.0 m -91.13 6.33 45.45 Favored 'General case' 0 N--CA 1.39 -3.437 0 CA-C-N 112.157 -2.292 . . . . 0.0 115.018 -177.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' C ' ' H ' ' A' ' 67' ' ' GLU . 1.7 tm-20 72.18 -42.08 0.52 Allowed 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -77.25 15.67 0.7 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 122.548 1.166 . . . . 0.0 109.732 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' H ' ' C ' ' A' ' 65' ' ' GLU . 13.0 pt-20 -146.96 173.54 12.34 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.433 ' HG2' ' HG3' ' A' ' 67' ' ' GLU . 20.2 mm-40 58.1 -174.85 0.08 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.078 1.351 . . . . 0.0 114.146 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 t -142.71 84.26 1.84 Allowed 'General case' 0 N--CA 1.414 -2.261 0 CA-C-O 122.873 1.321 . . . . 0.0 110.069 176.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.604 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -94.3 5.37 51.97 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.668 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -80.8 -29.01 36.11 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.608 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.25 -16.25 61.93 Favored 'General case' 0 C--N 1.277 -2.572 0 CA-C-N 114.033 -1.44 . . . . 0.0 113.798 -173.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -89.24 -7.28 55.81 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 49.0 m80 75.18 138.95 0.06 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.473 1.509 . . . . 0.0 113.129 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -80.78 -42.8 21.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.6 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.2 m80 . . . . . 0 C--N 1.308 -1.223 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 176.786 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.409 -2.493 0 CA-C-O 121.156 0.503 . . . . 0.0 110.394 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.533 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 70.1 p -101.31 175.73 5.48 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -59.47 -37.71 78.91 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.959 1.362 . . . . 0.0 109.868 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 30.8 t70 -64.64 -41.1 96.37 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 112.059 -2.337 . . . . 0.0 112.347 175.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.625 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 27.7 mm-40 -74.76 -34.17 62.44 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 121.392 0.615 . . . . 0.0 110.383 -175.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 66.0 t -71.04 -39.81 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.092 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 8.3 mtmp? -55.97 -49.47 73.47 Favored 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.516 172.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -62.22 -28.94 70.04 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.7 pt20 -70.47 -52.54 21.36 Favored 'General case' 0 C--N 1.371 1.532 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.484 ' O ' HD11 ' A' ' 29' ' ' LEU . 35.0 mt -64.53 -35.14 80.01 Favored 'General case' 0 N--CA 1.41 -2.466 0 CA-C-N 113.493 -1.685 . . . . 0.0 111.429 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 12.6 m -59.39 -51.77 68.5 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.003 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.8 -42.63 97.68 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.319 0.58 . . . . 0.0 110.485 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.1 m -60.55 -48.51 81.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.067 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.98 92.77 Favored Glycine 0 C--O 1.209 -1.448 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.031 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.7 mmmt -65.1 -33.34 75.8 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 122.656 0.382 . . . . 0.0 112.005 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.13 -40.92 59.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.706 0.765 . . . . 0.0 110.943 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -83.27 -46.48 12.6 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.457 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.92 9.88 50.96 Favored Glycine 0 N--CA 1.427 -1.955 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 -174.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.6 p -164.68 156.92 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.686 0 CA-C-N 115.098 -0.551 . . . . 0.0 110.815 -173.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 19' ' ' LEU . 58.8 mt -153.04 132.48 12.9 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 124.951 1.3 . . . . 0.0 108.633 174.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.548 HG22 HG13 ' A' ' 63' ' ' ILE . 40.7 p -73.9 145.96 44.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -58.66 -39.47 80.69 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -77.92 -22.42 49.67 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 119.07 -1.052 . . . . 0.0 112.862 -173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.3 pt-20 -77.18 -24.95 51.41 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.455 ' O ' ' HG2' ' A' ' 38' ' ' MET . 93.4 mt -73.23 -43.53 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.356 175.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.77 69.64 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.543 1.137 . . . . 0.0 110.917 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.27 -53.4 58.56 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 125.698 1.599 . . . . 0.0 110.61 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -72.66 -26.64 61.71 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.809 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.3 mmt -82.74 -2.57 54.69 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.987 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -73.69 -11.99 60.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.946 0.879 . . . . 0.0 109.28 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.8 m -75.03 -22.17 58.6 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.818 0.818 . . . . 0.0 109.374 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -113.95 -173.83 2.35 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.202 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -115.24 87.3 2.63 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mm -115.67 116.81 53.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 CA-C-O 121.316 0.579 . . . . 0.0 110.447 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.53 165.31 24.49 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.999 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 p -58.47 -35.85 72.81 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 124.359 1.064 . . . . 0.0 111.075 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.43 -45.11 89.14 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.456 0.702 . . . . 0.0 110.81 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -74.13 -38.64 63.72 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -58.28 -42.56 86.84 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.005 176.197 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -53.71 -45.69 70.52 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.404 1.082 . . . . 0.0 110.531 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.06 -41.35 87.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.336 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.433 ' CE2' HD11 ' A' ' 55' ' ' LEU . 20.1 t80 -70.12 -38.17 75.5 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.325 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -62.55 -41.28 98.8 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 121.347 0.594 . . . . 0.0 110.585 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -62.67 -46.05 89.98 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.939 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.639 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 36.2 t80 -54.89 -54.55 41.07 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.396 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.444 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 85.5 mt -57.13 -45.21 83.71 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.08 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.9 -42.69 94.87 Favored Glycine 0 CA--C 1.504 -0.621 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.313 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.59 -29.37 68.71 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 66.6 mm-40 -80.0 -44.21 20.6 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.98 45.15 0.05 OUTLIER Glycine 0 C--N 1.3 -1.431 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.066 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 24.0 t -131.62 125.13 55.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 44.5 mt-10 -90.74 131.99 36.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -97.05 109.03 21.87 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.628 179.402 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 30' ' ' THR . 17.5 pt . . . . . 0 C--N 1.318 -0.788 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.533 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.77 0 CA-C-O 120.579 0.228 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.613 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 20.8 p -101.13 179.47 4.36 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -60.19 -39.99 88.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 123.048 1.404 . . . . 0.0 111.064 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.93 -34.22 77.3 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 112.364 -2.198 . . . . 0.0 113.064 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.613 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 11.6 mm100 -77.95 -36.39 49.29 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.369 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 48.3 t -71.81 -36.82 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.719 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.713 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -54.41 -46.82 73.22 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 172.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.3 -27.07 69.08 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.0 pt20 -72.05 -49.28 37.96 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' O ' HD11 ' A' ' 29' ' ' LEU . 65.9 mt -66.67 -40.27 88.52 Favored 'General case' 0 N--CA 1.415 -2.186 0 CA-C-N 113.135 -1.848 . . . . 0.0 111.482 -176.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.54 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 15.8 m -58.5 -49.63 76.68 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 124.163 0.914 . . . . 0.0 109.603 177.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.513 ' HG2' ' HE3' ' A' ' 25' ' ' LYS . 35.9 tt0 -61.92 -43.19 99.36 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.939 -177.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 m -63.73 -45.84 88.09 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.466 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.31 -32.91 85.76 Favored Glycine 0 C--O 1.208 -1.486 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.806 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.7 mmmt -65.38 -31.6 72.8 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HE3' ' HG2' ' A' ' 21' ' ' GLU . 91.9 mttt -74.85 -42.26 58.29 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.848 0.832 . . . . 0.0 110.011 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -84.44 -49.72 8.41 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 122.54 1.162 . . . . 0.0 112.663 -173.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.93 8.89 41.2 Favored Glycine 0 N--CA 1.425 -2.056 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 -173.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.604 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.7 p -164.15 157.22 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.61 0 CA-C-N 115.23 -0.485 . . . . 0.0 110.427 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.456 HD11 ' O ' ' A' ' 19' ' ' LEU . 62.9 mt -151.06 142.05 23.01 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 124.694 1.198 . . . . 0.0 108.603 175.6 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.409 ' HA ' HG13 ' A' ' 63' ' ' ILE . 20.5 p -76.08 143.93 41.02 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 118.246 0.475 . . . . 0.0 110.015 171.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -57.96 -35.36 71.05 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.89 0.376 . . . . 0.0 110.418 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.83 -33.41 66.16 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -174.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 30' ' ' THR . 12.9 pt-20 -74.35 -29.89 61.77 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 119.229 -0.989 . . . . 0.0 108.593 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.425 HG23 HD13 ' A' ' 19' ' ' LEU . 87.7 mt -67.71 -42.53 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.805 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.187 176.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -33.91 76.45 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 123.725 0.81 . . . . 0.0 110.551 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.97 -55.29 36.78 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.52 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -69.74 -27.42 64.94 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.366 0.603 . . . . 0.0 110.053 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.8 mmt -83.24 -0.37 49.16 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.074 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.8 t -80.47 -15.8 55.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.4 t -70.26 -23.99 62.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -104.06 -36.15 7.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.549 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 79.13 72.6 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 126.098 1.759 . . . . 0.0 109.714 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.4 mm -101.36 130.85 50.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.756 -1.565 . . . . 0.0 108.793 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.22 162.17 25.88 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.738 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 48' ' ' MET . 13.2 t -62.02 -25.69 67.8 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 120.802 0.334 . . . . 0.0 110.821 -176.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.75 -49.11 77.66 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.4 0.68 . . . . 0.0 110.157 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.08 -29.54 43.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.361 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.515 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 0.5 OUTLIER -61.36 -39.84 92.09 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.105 177.276 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.26 -39.88 76.51 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.462 0.705 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.12 -30.74 68.0 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.642 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -71.1 -35.79 71.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.08 -39.48 92.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.905 0.384 . . . . 0.0 110.985 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 38.0 tt0 -63.34 -45.9 89.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.511 175.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 44.9 t80 -55.53 -49.96 71.26 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.321 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.7 mt -57.11 -42.4 80.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.374 178.043 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.63 -40.65 99.04 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.782 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 52.0 mt-10 -65.2 -32.59 74.34 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 120.875 0.369 . . . . 0.0 111.709 178.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 28.2 mm-40 -77.93 -42.33 33.41 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.06 49.4 0.08 OUTLIER Glycine 0 C--N 1.308 -1.005 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.564 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 22.0 t -130.78 130.31 64.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.604 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 43.3 mt-10 -94.64 143.86 26.09 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 173.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.71 119.67 39.95 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 119.454 -0.899 . . . . 0.0 111.363 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 30' ' ' THR . 9.4 pt . . . . . 0 C--N 1.306 -1.286 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 175.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.575 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.423 -1.804 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.434 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 64.6 p -98.88 177.44 5.27 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -60.93 -39.3 88.93 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 122.456 1.122 . . . . 0.0 110.457 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.458 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 57.7 m-20 -64.69 -40.11 94.82 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 112.76 -2.018 . . . . 0.0 112.543 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 19.8 mm-40 -74.87 -35.21 62.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.33 0.586 . . . . 0.0 110.177 -176.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 78.1 t -71.25 -39.93 73.48 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.294 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.332 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 46.6 mtmt -56.46 -47.18 79.71 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.78 -26.19 68.52 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.3 pt20 -70.75 -48.69 53.1 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-O 122.732 1.253 . . . . 0.0 107.995 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' O ' HD11 ' A' ' 29' ' ' LEU . 49.4 mt -67.25 -41.78 85.02 Favored 'General case' 0 N--CA 1.407 -2.582 0 CA-C-N 112.899 -1.955 . . . . 0.0 111.964 -177.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 21.1 m -57.86 -53.13 61.73 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 124.007 0.817 . . . . 0.0 110.432 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.0 tt0 -64.06 -40.2 95.76 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 123.667 0.605 . . . . 0.0 111.074 -174.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 59.4 m -62.54 -43.95 97.54 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.305 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.76 -35.25 89.44 Favored Glycine 0 C--O 1.211 -1.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.813 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 20' ' ' THR . 25.7 mmmt -63.05 -36.4 83.45 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 124.033 0.49 . . . . 0.0 111.337 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.6 mtpp -75.45 -40.94 56.88 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 121.499 0.666 . . . . 0.0 110.902 -178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 22' ' ' SER . 91.7 mtt180 -80.17 -50.46 10.25 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 122.307 1.051 . . . . 0.0 111.004 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.1 1.12 30.0 Favored Glycine 0 N--CA 1.419 -2.461 0 CA-C-N 113.496 -1.684 . . . . 0.0 109.264 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.419 HG21 HG23 ' A' ' 63' ' ' ILE . 7.6 p -162.25 155.3 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 CA-C-O 120.697 0.284 . . . . 0.0 110.996 -174.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 19' ' ' LEU . 50.2 mt -142.06 147.97 37.67 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.497 1.119 . . . . 0.0 109.009 175.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.458 HG22 HG13 ' A' ' 63' ' ' ILE . 43.5 p -79.25 151.36 31.21 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 171.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -64.73 -37.82 88.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.587 0.708 . . . . 0.0 109.848 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.77 -27.46 55.31 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -172.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.44 -30.65 64.78 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.473 ' O ' ' HG2' ' A' ' 38' ' ' MET . 92.3 mt -67.89 -41.38 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.803 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.0 84.08 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 124.138 0.975 . . . . 0.0 110.247 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.67 -44.2 93.68 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.023 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mmt-85 -69.46 -31.28 69.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 122.164 -0.335 . . . . 0.0 111.032 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -82.81 1.28 39.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.465 -176.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -74.5 -11.89 60.34 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.05 0.452 . . . . 0.0 111.202 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.0 p -80.14 -27.43 39.08 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.819 0.819 . . . . 0.0 109.473 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -98.54 -168.12 1.6 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.669 -1.151 . . . . 0.0 107.936 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -124.66 81.4 1.94 Allowed 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.473 HG22 ' HG2' ' A' ' 48' ' ' MET . 32.1 mm -107.02 116.87 51.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.81 0.814 . . . . 0.0 111.087 -173.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -78.41 161.56 27.06 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.205 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.7 m -57.2 -32.43 66.47 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 123.583 0.753 . . . . 0.0 112.696 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.89 -41.94 86.35 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.239 0.542 . . . . 0.0 109.936 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -67.23 -39.63 86.24 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.039 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.473 ' HG2' HG22 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -64.47 -43.62 93.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.473 177.211 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.17 -44.75 79.64 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.102 0.561 . . . . 0.0 110.796 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -61.08 -38.34 85.9 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.549 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -69.92 -39.92 75.86 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.759 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -61.18 -44.56 97.11 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 121.132 0.491 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.91 -40.05 91.12 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.07 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.502 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 38.9 t80 -56.75 -49.63 74.67 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.165 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.505 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.0 mt -57.72 -45.67 85.44 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.48 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.7 -42.4 91.12 Favored Glycine 0 CA--C 1.507 -0.439 0 CA-C-N 114.308 -1.314 . . . . 0.0 111.261 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -64.88 -34.48 78.48 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 75.2 mm-40 -79.85 -38.92 31.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.402 -178.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.87 40.35 0.1 OUTLIER Glycine 0 C--N 1.301 -1.383 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.17 172.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.505 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 41.8 t -126.49 127.27 70.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -90.24 166.08 13.55 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 58.3 mt -125.07 115.75 21.0 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.134 0.492 . . . . 0.0 111.832 -174.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 30' ' ' THR . 16.0 pt . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.434 -1.245 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.65 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 14.6 p -100.93 172.54 6.97 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -62.39 -36.32 81.96 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.217 1.008 . . . . 0.0 110.618 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.85 -40.62 95.45 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.659 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.65 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 60.3 mm-40 -71.73 -37.44 70.61 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -174.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 65.8 t -72.82 -37.28 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 CA-C-N 114.66 -1.154 . . . . 0.0 108.961 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -55.47 -49.58 72.11 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.167 172.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.73 -27.31 69.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.3 pt20 -71.54 -49.78 37.46 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.469 HD13 HG23 ' A' ' 34' ' ' ILE . 24.9 mt -67.48 -39.84 85.25 Favored 'General case' 0 N--CA 1.408 -2.529 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.555 -178.129 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.477 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 18.3 m -57.95 -51.95 67.51 Favored 'General case' 0 C--N 1.315 -0.922 0 O-C-N 123.723 0.64 . . . . 0.0 109.734 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 35.1 tt0 -63.32 -40.92 98.66 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.473 0.654 . . . . 0.0 110.592 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 m -64.13 -41.34 97.25 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.161 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.52 -34.87 85.5 Favored Glycine 0 C--O 1.199 -2.087 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 20' ' ' THR . 28.4 mmmt -66.58 -29.23 69.24 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 29.2 mtpp -75.69 -37.93 59.08 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.431 0.634 . . . . 0.0 110.514 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -86.98 -47.17 9.18 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 114.975 -1.011 . . . . 0.0 113.046 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.49 -0.05 46.51 Favored Glycine 0 N--CA 1.422 -2.267 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -172.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.1 p -157.54 159.23 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 0 CA-C-N 115.291 -0.455 . . . . 0.0 111.004 -172.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 59.7 mt -153.4 139.24 18.04 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 125.071 1.348 . . . . 0.0 107.982 174.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.659 HG22 HG13 ' A' ' 63' ' ' ILE . 48.1 p -79.77 147.29 31.91 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -55.3 -41.65 72.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -85.62 -11.94 52.67 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -172.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.2 pt-20 -80.49 -27.91 37.66 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.469 HG23 HD13 ' A' ' 19' ' ' LEU . 84.6 mt -69.09 -41.94 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 CA-C-N 114.036 -1.438 . . . . 0.0 108.255 175.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.75 -31.16 70.89 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 124.417 1.087 . . . . 0.0 110.617 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.63 -50.53 72.2 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 124.306 1.043 . . . . 0.0 109.243 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -68.34 -32.31 72.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.865 0.84 . . . . 0.0 108.79 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 22.6 mmt -81.67 1.24 35.06 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.63 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.1 m -76.39 -16.1 59.79 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -68.98 -33.98 74.56 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' HB2' HG12 ' A' ' 43' ' ' ILE . 38.3 m-85 -98.39 -19.52 17.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.537 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 57.47 62.51 2.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.489 1.137 . . . . 0.0 110.061 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.55 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 39.5 mm -72.47 140.09 18.57 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.135 -175.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -73.05 156.13 39.08 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.037 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.7 t -58.6 -31.39 68.01 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.054 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.91 -57.15 14.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.301 1.04 . . . . 0.0 109.857 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.55 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 43.3 mt-30 -67.22 -33.06 74.57 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.854 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.579 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.4 mmt -64.41 -47.87 77.54 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.21 -43.59 87.74 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.772 0.829 . . . . 0.0 110.421 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -55.9 -46.95 78.23 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.996 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 55' ' ' LEU . 21.2 t80 -69.24 -34.81 75.39 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.722 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -62.47 -43.53 98.6 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.887 0.375 . . . . 0.0 111.12 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.4 tp10 -64.11 -40.28 95.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.471 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 51.9 t80 -58.94 -51.44 70.05 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.398 177.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 80.9 mt -58.16 -42.62 86.37 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.147 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.52 -42.48 95.97 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.552 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 46.2 mt-10 -66.03 -30.5 71.05 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 26.9 mm-40 -75.75 -47.3 26.53 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.47 54.52 0.06 OUTLIER Glycine 0 C--N 1.301 -1.396 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.431 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.9 t -139.51 126.01 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -176.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -96.54 128.69 43.72 Favored 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mm? -92.08 103.76 16.22 Favored 'General case' 0 C--N 1.266 -3.061 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.125 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.659 HG13 HG22 ' A' ' 30' ' ' THR . 31.0 pt . . . . . 0 C--N 1.312 -1.052 0 CA-C-O 121.544 0.688 . . . . 0.0 111.853 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.432 -1.338 0 CA-C-O 121.081 0.467 . . . . 0.0 110.777 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.522 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 76.1 p -101.17 176.28 5.31 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.339 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.494 ' HE1' HD13 ' A' ' 43' ' ' ILE . 49.5 t80 -61.9 -39.5 92.19 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 122.561 1.172 . . . . 0.0 110.768 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.451 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 4.1 m-20 -65.34 -36.58 84.47 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.04 -1.891 . . . . 0.0 112.801 175.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.522 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 26.6 mm-40 -75.18 -35.72 61.54 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-O 121.152 0.501 . . . . 0.0 110.304 -177.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 10' ' ' LEU . 47.9 t -71.07 -39.51 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.519 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 41.9 mtmt -55.09 -52.11 64.26 Favored 'General case' 0 N--CA 1.42 -1.952 0 O-C-N 123.804 0.69 . . . . 0.0 109.449 171.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 13' ' ' ASP . 45.2 mt-10 -62.67 -26.08 68.47 Favored 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -69.05 -57.07 5.92 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 29' ' ' LEU . 20.3 mt -63.78 -37.68 88.27 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 113.265 -1.789 . . . . 0.0 111.603 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.5 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 12.2 m -60.76 -51.33 69.78 Favored 'General case' 0 N--CA 1.423 -1.785 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.323 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 11.8 tp10 -59.7 -46.02 90.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.499 0.666 . . . . 0.0 110.179 -175.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 m -66.35 -45.33 80.57 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.828 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.13 91.62 Favored Glycine 0 C--O 1.205 -1.684 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 26.1 mmmt -63.91 -34.02 77.01 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.098 -0.551 . . . . 0.0 111.867 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 57.9 mtpt -76.73 -40.71 47.71 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.664 0.745 . . . . 0.0 110.175 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -75.89 -48.41 21.46 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.132 -176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.24 -0.68 47.1 Favored Glycine 0 N--CA 1.42 -2.381 0 CA-C-N 113.165 -1.834 . . . . 0.0 108.588 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.4 HG22 HG12 ' A' ' 63' ' ' ILE . 7.7 p -158.79 158.52 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.185 0 CA-C-N 115.34 -0.43 . . . . 0.0 110.833 -172.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.439 HD11 ' O ' ' A' ' 19' ' ' LEU . 46.7 mt -148.57 136.97 21.25 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 124.62 1.168 . . . . 0.0 108.77 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.49 HG22 HG13 ' A' ' 63' ' ' ILE . 27.4 p -75.68 140.19 42.36 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 118.18 0.446 . . . . 0.0 110.874 173.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -50.02 -39.95 43.17 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.2 -29.88 60.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.069 -0.652 . . . . 0.0 112.542 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.6 pt-20 -75.71 -28.98 58.81 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 119.186 -1.006 . . . . 0.0 108.297 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.463 HD11 HD12 ' A' ' 62' ' ' LEU . 71.8 mt -65.31 -44.16 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.734 175.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.91 69.28 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 123.821 0.848 . . . . 0.0 110.939 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.57 -54.29 47.24 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 124.422 1.089 . . . . 0.0 111.349 -173.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -70.0 -25.99 63.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.615 0.721 . . . . 0.0 109.399 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.526 ' SD ' HD11 ' A' ' 43' ' ' ILE . 22.5 mmt -85.06 -6.57 59.31 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.852 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.7 m -67.64 -14.04 62.6 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.8 t -75.63 -33.18 60.49 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -89.23 -43.64 10.84 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.647 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 62.29 78.81 0.28 Allowed 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.826 1.298 . . . . 0.0 108.544 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.526 HD11 ' SD ' ' A' ' 38' ' ' MET . 29.7 mt -86.42 155.79 3.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 113.435 -1.712 . . . . 0.0 110.446 -171.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.08 155.54 39.35 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 173.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -61.05 -30.32 70.25 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.296 0.569 . . . . 0.0 109.63 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.62 -54.69 34.05 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 124.628 1.171 . . . . 0.0 110.934 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 5.3 mt-30 -70.62 -31.08 67.91 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.837 -176.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.537 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 1.0 OUTLIER -62.61 -50.6 70.63 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.657 179.419 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -64.71 -38.11 89.86 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.594 0.559 . . . . 0.0 109.925 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.97 -43.39 91.36 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 115.338 -0.847 . . . . 0.0 108.864 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -69.79 -38.7 76.77 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.828 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.58 -44.36 97.17 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.238 0.542 . . . . 0.0 110.734 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.12 -40.01 93.9 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.526 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.544 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 43.0 t80 -58.76 -51.14 71.25 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.26 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.7 mt -57.24 -41.72 80.09 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.047 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.63 -40.12 97.48 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.589 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.98 -35.69 81.99 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 26.1 mm-40 -76.25 -48.42 20.32 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -175.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.06 44.08 0.05 OUTLIER Glycine 0 C--N 1.305 -1.161 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.624 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.9 t -129.71 131.68 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -93.81 138.46 31.95 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.463 HD12 HD11 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -99.74 110.24 22.64 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.598 178.154 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.49 HG13 HG22 ' A' ' 30' ' ' THR . 12.2 pt . . . . . 0 CA--C 1.488 -1.427 0 CA-C-O 122.625 1.203 . . . . 0.0 113.864 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.426 -1.672 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.507 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 80.8 p -100.38 173.39 6.61 Favored 'General case' 0 N--CA 1.42 -1.975 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -59.83 -37.36 79.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.819 1.295 . . . . 0.0 110.595 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.479 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 23.8 t0 -64.16 -41.44 97.16 Favored 'General case' 0 CA--C 1.489 -1.387 0 CA-C-N 112.377 -2.192 . . . . 0.0 111.213 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.507 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 24.1 mm-40 -76.42 -33.7 58.8 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.059 -174.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.574 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.1 t -71.83 -38.99 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.638 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HB2' ' HZ2' ' A' ' 16' ' ' LYS . 8.4 mtmp? -56.73 -46.15 81.49 Favored 'General case' 0 N--CA 1.414 -2.25 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.122 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.65 -27.99 69.61 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.3 pt20 -70.14 -47.78 60.26 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' O ' HD11 ' A' ' 29' ' ' LEU . 59.2 mt -66.57 -44.76 81.4 Favored 'General case' 0 N--CA 1.409 -2.523 0 CA-C-N 113.24 -1.8 . . . . 0.0 111.743 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 19.7 m -57.78 -52.65 64.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.221 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 11.0 tp10 -61.66 -43.36 99.0 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 123.84 0.712 . . . . 0.0 109.888 -174.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 19.8 m -62.65 -47.19 84.79 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.856 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.57 -36.02 92.64 Favored Glycine 0 C--O 1.21 -1.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.333 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 20' ' ' THR . 22.0 mmmt -62.83 -34.41 77.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.435 -0.382 . . . . 0.0 111.188 177.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.8 mtpp -74.86 -42.99 56.86 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.308 0.575 . . . . 0.0 110.356 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 22' ' ' SER . 96.4 mtt180 -78.07 -47.05 19.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 122.522 1.153 . . . . 0.0 111.26 -174.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.12 6.46 45.33 Favored Glycine 0 N--CA 1.424 -2.113 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.985 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG21 HG23 ' A' ' 63' ' ' ILE . 9.0 p -164.74 160.87 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.704 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.492 HD11 ' O ' ' A' ' 19' ' ' LEU . 23.7 mt -148.83 146.72 28.11 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.988 1.315 . . . . 0.0 109.574 176.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.435 ' HA ' HG13 ' A' ' 63' ' ' ILE . 54.3 p -80.48 146.06 31.56 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -61.11 -38.63 87.01 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.62 0.724 . . . . 0.0 109.42 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -64.17 -43.06 96.31 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.424 -1.262 . . . . 0.0 113.556 -173.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.97 -27.6 62.88 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.537 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' A' ' 38' ' ' MET . 97.3 mt -67.7 -42.5 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.228 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.223 177.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.89 78.47 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.755 0.788 . . . . 0.0 109.778 177.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.83 -46.95 87.64 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 125.462 1.505 . . . . 0.0 111.304 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 6.3 mmt180 -72.32 -29.72 64.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.172 0.51 . . . . 0.0 111.091 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.6 mmt -83.81 2.8 36.46 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.117 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -78.77 -11.85 60.0 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.7 t -71.42 -37.16 71.49 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 172.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' HB2' HG12 ' A' ' 43' ' ' ILE . 32.4 m-85 -95.46 -172.29 2.6 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.187 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -115.71 34.01 5.17 Favored 'General case' 0 C--N 1.263 -3.171 0 C-N-CA 125.023 1.329 . . . . 0.0 109.59 -174.819 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.592 HG12 ' HB2' ' A' ' 41' ' ' PHE . 30.6 mm -68.43 120.98 16.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.551 -175.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.99 165.63 20.53 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.609 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -59.42 -35.89 74.85 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 123.152 0.581 . . . . 0.0 110.559 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.15 -41.44 92.78 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.747 0.784 . . . . 0.0 110.031 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.424 ' HB2' HG23 ' A' ' 43' ' ' ILE . 61.1 mt-30 -79.42 -29.95 42.13 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.329 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.539 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -65.74 -45.1 83.86 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.307 174.322 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.74 -41.28 70.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.715 0.806 . . . . 0.0 110.714 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.63 -44.88 90.15 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.433 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -69.54 -36.3 76.24 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.476 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -60.99 -44.16 97.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 0.0 111.883 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.84 -37.56 84.71 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.999 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -57.94 -51.09 71.07 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.559 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 82.0 mt -56.64 -43.14 79.99 Favored 'General case' 0 C--O 1.249 1.046 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.683 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.34 93.52 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.451 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.25 -37.86 88.53 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -77.46 -36.24 53.12 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -175.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.04 47.63 0.09 OUTLIER Glycine 0 C--N 1.295 -1.743 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.716 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 50.9 t -133.12 125.43 51.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 40.1 mt-10 -87.35 165.19 15.79 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 123.144 0.278 . . . . 0.0 110.278 174.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.8 mt -121.91 117.68 27.05 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.395 0.617 . . . . 0.0 112.424 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.435 HG13 ' HA ' ' A' ' 30' ' ' THR . 22.5 pt . . . . . 0 C--N 1.306 -1.315 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.59 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.432 -1.37 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 65.2 p -96.4 175.76 6.3 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -64.62 -38.29 90.5 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-O 122.123 0.963 . . . . 0.0 110.857 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.38 -40.34 96.15 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 113.408 -1.724 . . . . 0.0 111.057 174.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 32.1 mm-40 -72.84 -37.67 67.35 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.491 -176.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.634 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 72.6 t -71.72 -41.77 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.322 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -177.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -56.34 -47.3 79.07 Favored 'General case' 0 N--CA 1.424 -1.73 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.821 173.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.88 -29.17 70.56 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 1.6 pt20 -69.93 -48.52 58.19 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.497 ' O ' HD11 ' A' ' 29' ' ' LEU . 43.4 mt -67.02 -41.25 86.96 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-N 113.277 -1.783 . . . . 0.0 111.783 -177.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 21.8 m -57.31 -53.36 58.95 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 124.021 0.826 . . . . 0.0 110.008 178.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.92 -41.5 97.64 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.656 0.741 . . . . 0.0 110.998 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -64.08 -44.57 91.98 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 114.656 -1.157 . . . . 0.0 110.456 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.64 -34.62 89.49 Favored Glycine 0 C--O 1.201 -1.935 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.436 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.9 mmmt -65.22 -34.1 77.58 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.37 -40.3 62.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.468 0.651 . . . . 0.0 110.133 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -82.19 -54.16 5.49 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 122.696 1.236 . . . . 0.0 111.766 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.41 1.49 29.46 Favored Glycine 0 N--CA 1.416 -2.684 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.129 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG22 HG12 ' A' ' 63' ' ' ILE . 7.4 p -157.1 156.26 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.705 0 CA-C-O 120.568 0.223 . . . . 0.0 111.292 -172.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 61.5 mt -150.27 134.14 16.83 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 124.87 1.268 . . . . 0.0 108.399 174.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.626 HG22 HG13 ' A' ' 63' ' ' ILE . 46.4 p -72.92 144.71 47.23 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 118.105 0.411 . . . . 0.0 110.254 173.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -55.17 -38.83 68.82 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.467 0.651 . . . . 0.0 110.796 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -80.05 -24.07 40.96 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.4 pt-20 -76.32 -27.05 56.38 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 118.391 -1.324 . . . . 0.0 107.778 176.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.435 ' O ' ' HG2' ' A' ' 38' ' ' MET . 96.1 mt -70.48 -40.42 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.617 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -35.74 76.74 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 124.235 1.014 . . . . 0.0 110.613 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.49 -46.8 85.93 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.314 -174.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -72.42 -30.54 64.72 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.437 0.637 . . . . 0.0 109.349 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 22.0 mmt -83.11 -1.66 53.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.002 -177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -75.06 -14.5 60.6 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 120.975 0.417 . . . . 0.0 110.31 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 m -73.36 -27.19 61.35 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.469 ' HB2' HG12 ' A' ' 43' ' ' ILE . 27.2 m-85 -100.32 -159.06 0.71 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.299 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -129.53 39.86 3.67 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.724 0.774 . . . . 0.0 109.307 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.469 HG12 ' HB2' ' A' ' 41' ' ' PHE . 39.6 mm -71.06 121.41 20.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.295 -175.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -75.86 163.13 27.53 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.072 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -66.08 -29.19 69.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.181 -0.304 . . . . 0.0 110.181 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.37 -30.93 67.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.08 0.467 . . . . 0.0 110.319 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.73 -32.55 57.87 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.797 0.808 . . . . 0.0 109.03 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.528 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -66.17 -39.88 90.09 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.532 173.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.27 -44.49 95.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.434 0.693 . . . . 0.0 111.845 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.49 -33.43 75.92 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.884 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -70.33 -37.2 74.63 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.96 -41.45 98.01 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.379 0.609 . . . . 0.0 109.989 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.1 tp10 -62.57 -43.57 98.49 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.92 177.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.06 -50.86 72.46 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.603 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.495 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 83.5 mt -57.59 -40.87 79.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.772 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.4 -40.12 98.21 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.715 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 47.4 mt-10 -63.86 -35.18 79.8 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 116.93 0.365 . . . . 0.0 111.814 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 26.6 mm-40 -77.56 -46.52 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.17 55.46 0.07 OUTLIER Glycine 0 C--N 1.3 -1.455 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.942 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 31.3 t -133.23 127.37 54.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -90.07 134.05 34.48 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mm? -98.4 106.75 19.07 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.345 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.626 HG13 HG22 ' A' ' 30' ' ' THR . 15.2 pt . . . . . 0 C--O 1.212 -0.875 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.409 -2.518 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.6 p -99.78 175.51 5.77 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -60.84 -39.55 89.5 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 122.358 1.075 . . . . 0.0 110.846 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.4 -39.1 93.21 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 113.299 -1.773 . . . . 0.0 112.049 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CB ' ' HB3' ' A' ' 10' ' ' LEU . 16.5 mm100 -72.02 -37.65 69.74 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.545 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 58.0 t -71.99 -42.31 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.153 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -55.22 -48.06 74.42 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.045 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.65 -31.11 71.2 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 176.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 13.2 pt20 -69.99 -48.4 58.33 Favored 'General case' 0 C--N 1.365 1.276 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.459 ' O ' HD11 ' A' ' 29' ' ' LEU . 20.1 mt -65.64 -40.0 92.04 Favored 'General case' 0 N--CA 1.416 -2.136 0 CA-C-N 113.603 -1.635 . . . . 0.0 111.607 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.436 ' OG1' ' HE2' ' A' ' 54' ' ' PHE . 17.0 m -59.78 -53.0 63.08 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.601 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 36.8 tt0 -64.5 -40.65 96.04 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.737 0.779 . . . . 0.0 110.717 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.8 m -68.55 -38.85 81.15 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.845 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.06 -33.74 87.95 Favored Glycine 0 C--O 1.205 -1.719 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 20' ' ' THR . 23.8 mmmt -65.93 -34.33 77.88 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 124.12 0.541 . . . . 0.0 112.123 176.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.7 mtpp -74.99 -40.24 60.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-O 121.91 0.862 . . . . 0.0 109.341 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.48 HH11 ' HD3' ' A' ' 26' ' ' ARG . 45.7 mtt180 -76.78 -46.89 23.37 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.351 -177.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 13.32 54.5 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 -174.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.557 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 14.7 p -172.1 156.96 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 114.433 -0.883 . . . . 0.0 109.236 -174.093 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.459 HD11 ' O ' ' A' ' 19' ' ' LEU . 34.9 mt -144.17 136.75 26.87 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 122.966 0.507 . . . . 0.0 109.797 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.571 HG22 HG13 ' A' ' 63' ' ' ILE . 37.1 p -76.64 136.41 39.17 Favored 'General case' 0 N--CA 1.425 -1.697 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 172.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -55.54 -38.01 68.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.818 0.447 . . . . 0.0 111.031 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 38.4 mt-10 -74.28 -21.48 59.73 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.301 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.1 -45.14 35.42 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.423 ' O ' ' HG2' ' A' ' 38' ' ' MET . 69.8 mt -58.32 -47.36 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.376 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.22 75.79 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 124.186 0.994 . . . . 0.0 111.609 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 33.7 tt0 -63.33 -43.91 96.41 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.013 -172.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.72 -26.98 63.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.6 mmt -83.47 -3.46 57.61 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.369 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 m -74.75 -8.57 56.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.429 0.633 . . . . 0.0 110.099 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -75.49 -21.0 58.4 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -114.6 -162.93 0.84 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.446 -1.252 . . . . 0.0 107.659 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -129.78 80.38 1.96 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 122.614 1.197 . . . . 0.0 108.221 175.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.74 117.24 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.998 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.409 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -71.68 155.19 40.77 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 113.715 -1.584 . . . . 0.0 109.339 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.7 m -60.11 -30.37 69.22 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.866 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -69.88 -34.63 73.8 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.143 0.497 . . . . 0.0 110.317 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -74.94 -29.19 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.707 0.765 . . . . 0.0 109.444 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.503 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -69.85 -40.32 75.87 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.495 173.209 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 22.8 t70 -58.29 -42.78 87.35 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.735 0.814 . . . . 0.0 112.569 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.13 -33.41 75.38 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.44 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -69.73 -36.87 76.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 20.8 m-85 -59.73 -41.61 91.3 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.025 0.44 . . . . 0.0 110.645 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 6.4 tp10 -62.82 -42.9 99.92 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.858 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.436 ' HE2' ' OG1' ' A' ' 20' ' ' THR . 35.9 t80 -59.34 -49.41 77.93 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.556 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 75.7 mt -57.02 -44.71 83.12 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.788 178.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.73 -38.8 92.64 Favored Glycine 0 C--O 1.242 0.602 0 CA-C-N 114.299 -1.319 . . . . 0.0 111.569 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 8.4 mm-40 -64.67 -36.24 83.63 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 123.251 0.62 . . . . 0.0 112.34 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -76.14 -35.7 59.1 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.68 33.48 0.48 Allowed Glycine 0 C--N 1.294 -1.781 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.692 176.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.3 t -115.25 126.88 72.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 45.5 mt-10 -95.03 139.87 30.78 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.417 HD12 HD11 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -103.66 123.29 46.72 Favored 'General case' 0 C--N 1.279 -2.469 0 C-N-CA 119.153 -1.019 . . . . 0.0 112.748 -177.357 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.571 HG13 HG22 ' A' ' 30' ' ' THR . 24.9 pt . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.1 OUTLIER . . . . . 0 CA--C 1.491 -1.316 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.597 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 21.0 p -95.83 175.08 6.64 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -177.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -60.8 -38.89 86.89 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-O 122.478 1.132 . . . . 0.0 109.975 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 12.6 m-20 -67.93 -36.37 80.03 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 112.977 -1.92 . . . . 0.0 113.255 174.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.597 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 88.6 mm-40 -73.36 -37.22 66.14 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 76.5 t -72.55 -40.4 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.666 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.987 -178.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -56.48 -46.32 80.5 Favored 'General case' 0 N--CA 1.422 -1.86 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 13' ' ' ASP . 50.4 mt-10 -63.16 -28.02 69.77 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.8 pt20 -71.76 -50.66 28.05 Favored 'General case' 0 C--N 1.372 1.553 0 CA-C-O 122.184 0.992 . . . . 0.0 108.395 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' O ' HD11 ' A' ' 29' ' ' LEU . 52.3 mt -66.04 -40.54 91.09 Favored 'General case' 0 N--CA 1.41 -2.457 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.547 -176.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.7 m -58.49 -50.11 74.93 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.207 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -62.67 -43.54 98.54 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.004 0.907 . . . . 0.0 108.814 -175.322 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 m -65.87 -44.64 84.81 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.072 -1.422 . . . . 0.0 111.341 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.47 -34.49 90.1 Favored Glycine 0 C--O 1.207 -1.563 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -67.75 -29.34 68.53 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.434 -0.883 . . . . 0.0 113.307 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.9 mtpp -74.16 -43.72 56.3 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.613 0.72 . . . . 0.0 110.035 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -85.75 -51.92 6.12 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.949 -173.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.18 14.11 19.48 Favored Glycine 0 N--CA 1.426 -1.991 0 CA-C-N 113.657 -1.61 . . . . 0.0 109.586 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 7.1 p -168.63 155.66 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 115.505 -0.347 . . . . 0.0 110.514 -175.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 53.2 mt -148.44 138.63 22.52 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 124.746 1.218 . . . . 0.0 108.427 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.591 HG22 HG13 ' A' ' 63' ' ' ILE . 39.7 p -75.02 141.99 43.85 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 118.108 0.413 . . . . 0.0 110.405 173.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -55.38 -43.11 74.85 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.145 0.497 . . . . 0.0 110.288 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.06 -33.9 76.51 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.994 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.5 pt-20 -74.05 -28.64 61.5 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 118.533 -1.267 . . . . 0.0 108.957 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 38' ' ' MET . 88.4 mt -68.57 -43.79 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.979 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.768 175.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.93 85.67 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 124.366 1.067 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -59.8 -49.58 77.14 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.376 1.07 . . . . 0.0 111.683 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -67.97 -31.73 71.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.477 0.656 . . . . 0.0 110.166 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.3 mmt -81.43 -4.98 57.4 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.136 -177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.1 m -73.05 -16.64 61.48 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.845 0.355 . . . . 0.0 110.44 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 m -75.56 -29.11 59.26 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.452 ' HB2' HG12 ' A' ' 43' ' ' ILE . 35.4 m-85 -95.25 -21.15 18.63 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.688 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 66.48 68.57 0.43 Allowed 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 124.543 1.152 . . . . 0.0 108.986 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.452 HG12 ' HB2' ' A' ' 41' ' ' PHE . 33.3 mm -95.48 119.94 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.161 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.933 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -65.13 149.75 49.35 Favored 'General case' 0 C--N 1.277 -2.549 0 CA-C-N 114.067 -1.424 . . . . 0.0 110.561 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 48' ' ' MET . 38.4 m -55.16 -31.1 61.08 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 124.013 0.925 . . . . 0.0 110.295 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.31 -48.04 77.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.771 1.228 . . . . 0.0 109.729 176.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -81.47 -27.16 34.73 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.679 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -60.34 -40.49 90.88 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.413 176.32 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.53 -42.3 78.23 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.185 0.594 . . . . 0.0 109.93 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.93 -43.24 91.14 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.422 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.33 -35.89 73.91 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.153 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.0 -44.32 97.6 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.0 0.428 . . . . 0.0 111.11 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.89 -36.2 81.73 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.173 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -59.17 -49.52 77.54 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 98.4 mt -58.52 -36.59 74.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.395 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.29 98.82 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.016 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -64.65 -33.57 76.24 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 120.948 0.404 . . . . 0.0 111.56 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -77.47 -38.77 48.5 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.63 51.98 0.2 Allowed Glycine 0 C--N 1.304 -1.241 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.314 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.1 t -132.7 124.97 51.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 42.7 mt-10 -89.86 139.53 30.5 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 174.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -101.06 117.58 35.31 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.674 -178.384 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.591 HG13 HG22 ' A' ' 30' ' ' THR . 16.4 pt . . . . . 0 CA--C 1.491 -1.317 0 CA-C-O 122.313 1.054 . . . . 0.0 113.579 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.517 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.542 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 47.0 p -97.95 177.51 5.41 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -62.07 -39.85 93.8 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 122.635 1.207 . . . . 0.0 110.551 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.49 -40.32 95.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 112.702 -2.044 . . . . 0.0 110.591 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.55 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 9.8 mm-40 -74.73 -36.87 62.65 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.265 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.7 t -69.8 -38.29 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.511 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -56.36 -41.46 76.2 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.461 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.65 -33.44 75.93 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.6 pt20 -70.46 -46.96 62.79 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-O 122.114 0.959 . . . . 0.0 108.883 -174.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' HD11 ' A' ' 29' ' ' LEU . 42.8 mt -66.38 -38.39 87.43 Favored 'General case' 0 N--CA 1.408 -2.531 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 15.7 m -59.09 -52.36 66.06 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.587 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.81 -45.39 94.62 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.933 0.873 . . . . 0.0 110.086 -174.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.1 m -64.56 -46.25 83.59 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.408 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.76 -36.77 93.51 Favored Glycine 0 C--O 1.205 -1.716 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.758 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.3 mmmt -63.7 -36.24 83.19 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.955 0.502 . . . . 0.0 111.756 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.09 -40.43 65.01 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-O 121.265 0.555 . . . . 0.0 110.298 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -81.59 -51.85 7.8 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.956 0.884 . . . . 0.0 112.051 -175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.57 -4.16 27.84 Favored Glycine 0 N--CA 1.425 -2.065 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.098 -173.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -155.38 153.38 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.963 0 CA-C-O 121.19 0.519 . . . . 0.0 111.336 -172.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD11 ' O ' ' A' ' 19' ' ' LEU . 73.8 mt -141.38 144.73 34.67 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.168 174.404 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.574 HG22 HG13 ' A' ' 63' ' ' ILE . 41.5 p -84.03 150.44 25.6 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -63.15 -35.04 78.95 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 122.292 -0.255 . . . . 0.0 111.547 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -72.97 -29.67 63.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 119.835 -0.746 . . . . 0.0 112.594 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.8 pt-20 -75.61 -30.32 59.52 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.441 -0.903 . . . . 0.0 108.714 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.429 ' O ' ' HG2' ' A' ' 38' ' ' MET . 84.8 mt -69.74 -40.73 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.078 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.37 80.67 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.065 0.946 . . . . 0.0 110.13 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.02 -52.08 67.0 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.179 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -70.95 -29.33 65.31 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.3 mmt -83.58 -0.22 49.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.595 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 t -74.2 -17.23 60.93 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.338 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 p -73.06 -27.66 61.87 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 174.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -103.99 -172.03 2.04 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.42 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -125.04 93.27 3.84 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 172.033 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.8 mm -109.82 122.29 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.994 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.855 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -76.79 164.4 25.87 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.562 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -62.81 -29.46 70.74 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 123.324 0.65 . . . . 0.0 110.041 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.57 -54.19 48.4 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.143 0.973 . . . . 0.0 108.689 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -64.76 -38.78 92.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.618 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.6 OUTLIER -58.17 -46.41 85.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.275 179.067 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.38 -40.53 94.69 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.108 0.48 . . . . 0.0 110.513 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -60.33 -41.33 93.3 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.419 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -68.82 -38.86 80.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.9 -41.54 98.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.317 0.58 . . . . 0.0 110.415 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.18 -44.24 95.97 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.102 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 45.0 t80 -56.48 -52.24 65.44 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.444 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 89.1 mt -57.24 -43.88 83.32 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.771 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.36 -40.57 94.32 Favored Glycine 0 N--CA 1.453 -0.218 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.68 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.17 -33.1 74.99 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 67.0 mm-40 -79.09 -43.54 23.92 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.53 49.33 0.06 OUTLIER Glycine 0 CA--C 1.484 -1.897 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.883 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.7 t -133.29 122.26 44.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -88.7 136.74 32.84 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.44 106.68 18.27 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.453 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.574 HG13 HG22 ' A' ' 30' ' ' THR . 32.1 pt . . . . . 0 C--N 1.314 -0.971 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.646 177.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.415 -2.182 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.2 p -98.57 176.02 5.8 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -61.78 -38.53 88.39 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 122.739 1.257 . . . . 0.0 110.171 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.1 -42.37 99.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 112.679 -2.055 . . . . 0.0 111.127 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 22.0 mm-40 -72.5 -39.87 67.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.149 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.6 t -70.6 -39.76 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -55.06 -45.69 75.34 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.628 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.08 -28.22 69.64 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 13.5 pt20 -68.65 -47.78 65.69 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD13 HG23 ' A' ' 34' ' ' ILE . 32.3 mt -67.26 -42.3 84.13 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-N 113.324 -1.762 . . . . 0.0 112.519 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 m -58.02 -51.43 69.68 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.921 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 32.4 tt0 -63.32 -42.34 98.98 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.602 0.715 . . . . 0.0 110.896 -177.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -66.07 -43.47 87.31 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.819 -176.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.37 91.85 Favored Glycine 0 C--O 1.199 -2.04 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 22.7 mmmt -66.13 -33.93 76.9 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 58.9 mtpt -75.34 -39.8 58.95 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.262 0.553 . . . . 0.0 110.199 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -79.25 -48.8 13.53 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.297 1.046 . . . . 0.0 110.913 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.32 12.04 37.18 Favored Glycine 0 N--CA 1.428 -1.85 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -173.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.0 p -166.2 152.1 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.753 0 CA-C-N 115.342 -0.429 . . . . 0.0 111.266 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 65.5 mt -148.28 132.3 17.22 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 124.799 1.24 . . . . 0.0 107.944 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.661 HG22 HG13 ' A' ' 63' ' ' ILE . 42.3 p -75.72 149.78 37.98 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.972 173.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -53.94 -38.02 64.5 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.784 0.326 . . . . 0.0 111.31 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.42 -33.56 60.94 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.38 -25.39 60.55 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 119.22 -0.992 . . . . 0.0 108.855 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.474 HD11 HD12 ' A' ' 62' ' ' LEU . 95.2 mt -72.37 -43.55 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.798 175.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.55 68.02 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.916 0.886 . . . . 0.0 110.696 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.03 -41.77 97.21 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.115 -173.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -75.42 -29.75 59.84 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.366 0.603 . . . . 0.0 109.75 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.6 mmt -83.62 -1.4 53.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.03 -175.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.2 p -67.95 -22.0 65.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.233 0.54 . . . . 0.0 110.34 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -68.13 -28.07 67.0 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.526 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' HB2' HG12 ' A' ' 43' ' ' ILE . 19.0 m-85 -104.83 -173.92 2.42 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -119.28 81.29 1.69 Allowed 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' A' ' 41' ' ' PHE . 37.1 mm -102.22 122.11 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.941 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.69 162.81 28.78 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 113.841 -1.527 . . . . 0.0 110.452 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 p -67.65 -22.12 65.33 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.641 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -71.28 -48.65 49.53 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -62.4 -41.49 98.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.009 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.509 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.4 mmt -61.39 -43.69 98.44 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.81 178.041 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.5 -36.93 85.31 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.046 0.45 . . . . 0.0 110.256 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -59.86 -43.97 94.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.139 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.77 -35.98 77.75 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.573 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.05 -42.49 98.58 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 118.069 0.395 . . . . 0.0 111.754 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 42.0 tt0 -63.76 -43.23 97.05 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 57.6 t80 -55.42 -51.66 66.14 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.925 0.766 . . . . 0.0 110.293 178.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 92.0 mt -57.76 -43.42 85.44 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.469 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.54 -41.4 98.72 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.619 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 38.7 mm-40 -64.19 -34.26 77.67 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 122.936 0.495 . . . . 0.0 111.633 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 84.2 mm-40 -77.23 -38.38 51.34 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.23 49.06 0.12 Allowed Glycine 0 C--N 1.302 -1.34 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.561 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 22.8 t -130.46 132.48 64.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -92.28 131.18 37.7 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.528 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -95.39 97.9 10.16 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.65 177.531 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.661 HG13 HG22 ' A' ' 30' ' ' THR . 34.8 pt . . . . . 0 C--N 1.306 -1.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.649 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HB2' HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.427 -1.605 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.575 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 11.1 p -100.53 174.05 6.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.66 -38.42 91.05 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 122.78 1.276 . . . . 0.0 110.418 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -64.73 -35.15 80.13 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 112.293 -2.231 . . . . 0.0 111.616 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 88.3 mm-40 -76.58 -38.24 55.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.572 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.2 t -71.35 -37.93 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -56.96 -44.22 82.36 Favored 'General case' 0 N--CA 1.409 -2.493 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.092 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.07 -31.36 71.78 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.9 pt20 -70.42 -48.63 55.12 Favored 'General case' 0 CA--C 1.484 -1.571 0 CA-C-O 122.455 1.121 . . . . 0.0 109.037 -175.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.496 ' O ' HD11 ' A' ' 29' ' ' LEU . 54.1 mt -65.89 -40.04 91.21 Favored 'General case' 0 N--CA 1.401 -2.908 0 CA-C-N 113.226 -1.806 . . . . 0.0 111.076 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -59.29 -51.43 70.0 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 124.094 0.871 . . . . 0.0 110.086 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.32 -44.34 96.72 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 122.183 0.992 . . . . 0.0 110.177 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.9 m -66.14 -46.39 77.64 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.249 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.69 -32.65 84.88 Favored Glycine 0 C--O 1.212 -1.26 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.509 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 27.2 mmmt -64.5 -35.56 81.36 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.82 -42.1 34.9 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-O 122.021 0.915 . . . . 0.0 110.757 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' A' ' 28' ' ' VAL . 94.2 mtt180 -75.83 -48.3 22.12 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.275 -176.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 4.6 47.68 Favored Glycine 0 N--CA 1.428 -1.852 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.927 -173.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.456 ' O ' ' HD2' ' A' ' 26' ' ' ARG . 8.3 p -162.29 156.97 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.671 0 CA-C-N 115.346 -0.427 . . . . 0.0 110.951 -172.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 19' ' ' LEU . 38.0 mt -148.31 139.73 23.5 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 124.15 0.98 . . . . 0.0 109.369 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.462 ' HA ' HG13 ' A' ' 63' ' ' ILE . 74.6 p -75.68 140.17 42.37 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 118.093 0.406 . . . . 0.0 111.103 175.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -50.83 -37.87 45.49 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.045 0.938 . . . . 0.0 112.789 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -86.57 -24.97 25.24 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.483 -0.887 . . . . 0.0 113.293 -173.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 12.8 pt-20 -73.75 -31.8 63.51 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 118.111 -1.436 . . . . 0.0 107.897 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 38' ' ' MET . 84.6 mt -62.78 -44.35 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.233 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.832 175.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.05 87.32 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 124.11 0.964 . . . . 0.0 110.721 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.69 -47.66 84.77 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.082 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 54.5 mmt-85 -66.17 -32.54 74.05 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.467 ' HG3' ' HE1' ' A' ' 48' ' ' MET . 21.9 mmt -82.27 -5.14 58.34 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.528 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 m -78.48 -5.51 52.76 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.294 0.569 . . . . 0.0 110.002 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 m -73.31 -30.53 63.43 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' HB2' HG12 ' A' ' 43' ' ' ILE . 25.3 m-85 -103.66 -166.48 1.26 Allowed 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 114.02 -1.445 . . . . 0.0 107.641 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.62 64.66 0.74 Allowed 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.43 HG12 ' HB2' ' A' ' 41' ' ' PHE . 30.7 mm -100.96 115.0 41.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-O 121.55 0.691 . . . . 0.0 110.404 -175.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -77.16 168.46 20.02 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.604 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.7 t -61.94 -30.95 71.26 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.494 0.718 . . . . 0.0 109.407 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.9 -47.36 85.26 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 125.059 1.343 . . . . 0.0 109.23 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -77.55 -35.92 52.72 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.099 -1.41 . . . . 0.0 109.932 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.523 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -59.98 -38.09 81.54 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.99 176.548 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.12 -42.02 76.2 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.34 0.656 . . . . 0.0 111.443 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.38 -37.84 88.23 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.669 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 55' ' ' LEU . 25.8 t80 -71.22 -34.67 71.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.637 176.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.76 -39.86 93.11 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 120.901 0.382 . . . . 0.0 110.538 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 8.6 tp10 -63.29 -47.17 83.42 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.228 176.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 46.8 t80 -55.43 -50.34 70.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 O-C-N 123.935 0.772 . . . . 0.0 110.861 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 85.6 mt -58.14 -42.86 86.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.827 178.194 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.51 96.33 Favored Glycine 0 C--O 1.237 0.318 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.208 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 48.6 mt-10 -63.82 -32.93 74.61 Favored 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 122.651 0.38 . . . . 0.0 111.405 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 25.2 mm-40 -78.89 -53.22 7.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.24 49.43 0.03 OUTLIER Glycine 0 C--N 1.302 -1.351 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.5 t -133.83 131.99 56.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 45.5 mt-10 -97.87 140.15 32.66 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 173.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.84 112.49 24.57 Favored 'General case' 0 N--CA 1.408 -2.571 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.035 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' A' ' 30' ' ' THR . 15.3 pt . . . . . 0 CA--C 1.462 -2.406 0 CA-C-O 122.152 0.977 . . . . 0.0 111.522 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.591 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.423 -1.789 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.494 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 55.2 p -99.43 178.56 4.84 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -64.27 -36.44 84.11 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.684 1.231 . . . . 0.0 110.301 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.62 -40.21 95.07 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 112.906 -1.952 . . . . 0.0 113.013 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.591 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 15.7 mm-40 -75.27 -36.61 61.19 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.496 -176.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.548 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.6 t -71.02 -37.98 69.95 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.719 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -55.14 -47.95 74.37 Favored 'General case' 0 N--CA 1.408 -2.571 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.303 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.31 -26.24 68.4 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.9 pt20 -71.03 -50.18 36.85 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 122.609 1.195 . . . . 0.0 108.609 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD13 HG23 ' A' ' 34' ' ' ILE . 25.6 mt -66.08 -39.53 90.1 Favored 'General case' 0 N--CA 1.414 -2.236 0 CA-C-N 113.248 -1.796 . . . . 0.0 111.791 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 17.0 m -60.03 -50.19 74.7 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.402 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.92 -40.98 99.24 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 123.853 0.721 . . . . 0.0 109.838 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -62.0 -48.21 81.32 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.435 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.13 91.61 Favored Glycine 0 C--O 1.207 -1.553 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.814 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 20' ' ' THR . 29.8 mmmt -63.28 -35.86 81.75 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 122.895 0.478 . . . . 0.0 112.257 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -75.01 -39.13 61.33 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.276 0.56 . . . . 0.0 111.053 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.405 HH12 ' CD ' ' A' ' 33' ' ' GLU . 87.6 mtt180 -84.34 -54.94 4.44 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 122.247 1.022 . . . . 0.0 111.72 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.91 -5.4 18.38 Favored Glycine 0 N--CA 1.426 -1.995 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.116 -174.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.4 p -156.32 157.26 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 CA-C-O 120.72 0.295 . . . . 0.0 111.136 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.412 HD11 ' O ' ' A' ' 19' ' ' LEU . 68.6 mt -145.74 141.72 28.27 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 124.627 1.171 . . . . 0.0 108.59 175.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.594 HG22 HG13 ' A' ' 63' ' ' ILE . 44.0 p -79.93 144.11 33.63 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -57.2 -36.11 70.44 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.142 0.496 . . . . 0.0 111.047 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -77.55 -23.76 50.0 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.237 -173.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 30' ' ' THR . 15.4 pt-20 -80.32 -29.13 38.05 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 176.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.447 HG23 HD13 ' A' ' 19' ' ' LEU . 89.5 mt -67.07 -41.68 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.124 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.779 175.339 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.09 -30.72 71.28 Favored 'General case' 0 N--CA 1.432 -1.347 0 C-N-CA 124.081 0.953 . . . . 0.0 110.857 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.86 -51.82 68.09 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.886 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -69.18 -30.49 68.7 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -81.3 -3.36 52.3 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.829 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t -79.98 -4.26 51.76 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 t -74.08 -28.89 61.6 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -110.24 -169.57 1.49 Allowed 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 114.098 -1.41 . . . . 0.0 107.301 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -125.23 89.64 3.09 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.5 129.81 60.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.627 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.69 167.72 21.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.535 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.6 t -66.82 -32.06 73.1 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 176.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.58 -43.73 75.9 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.59 -36.8 84.99 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.987 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -64.8 -42.1 95.28 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.848 175.618 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 19.4 t70 -61.14 -34.93 75.79 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.319 0.387 . . . . 0.0 110.661 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.64 -47.56 81.89 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.648 0.737 . . . . 0.0 109.522 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -68.57 -34.43 75.8 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.0 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.413 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 22.9 m-85 -61.89 -42.15 98.74 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.291 -0.256 . . . . 0.0 111.35 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.25 -43.45 98.8 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.355 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 51.4 t80 -57.64 -50.39 73.31 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 83.0 mt -57.34 -42.49 82.08 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.565 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.53 98.63 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.802 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.25 -38.81 88.05 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 122.989 0.515 . . . . 0.0 111.072 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 24.7 mm-40 -76.15 -50.16 15.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 -176.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.3 56.65 0.04 OUTLIER Glycine 0 C--N 1.304 -1.199 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.075 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.5 t -139.2 128.75 30.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 40.3 mt-10 -90.68 136.49 33.03 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.91 112.39 25.34 Favored 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.353 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.594 HG13 HG22 ' A' ' 30' ' ' THR . 25.7 pt . . . . . 0 C--N 1.307 -1.266 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.424 -1.734 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.536 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 23.8 p -101.76 171.53 7.48 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.214 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -60.73 -37.09 80.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.558 1.171 . . . . 0.0 110.716 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.477 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 20.6 m-20 -64.62 -38.08 89.78 Favored 'General case' 0 CA--C 1.5 -0.942 0 CA-C-N 112.897 -1.956 . . . . 0.0 111.974 175.169 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.536 ' HB2' ' H ' ' A' ' 11' ' ' THR . 60.3 mm-40 -73.64 -38.41 65.01 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.449 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 76.5 t -72.71 -38.48 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.358 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.185 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.2 mtmt -57.4 -49.96 74.51 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.16 -26.18 68.19 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.7 pt20 -71.3 -51.28 25.3 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-O 122.201 1.0 . . . . 0.0 108.901 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.519 HD13 HG23 ' A' ' 34' ' ' ILE . 56.7 mt -66.67 -35.87 81.18 Favored 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 113.134 -1.848 . . . . 0.0 112.068 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 18.0 m -57.5 -51.01 71.19 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.917 176.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 25.2 tt0 -62.77 -42.11 99.54 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.685 0.755 . . . . 0.0 110.463 -174.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 25.1 m -64.78 -45.78 84.89 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.698 -176.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.78 89.62 Favored Glycine 0 C--O 1.209 -1.444 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.475 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 27.2 mmmt -64.31 -34.76 78.89 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.951 -0.625 . . . . 0.0 112.393 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 60.2 mtpt -76.89 -37.73 54.9 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.204 0.526 . . . . 0.0 111.295 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 22' ' ' SER . 87.5 mtt180 -85.13 -46.64 10.93 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 122.189 0.995 . . . . 0.0 111.819 -175.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.67 5.77 44.61 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 -174.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 8.3 p -162.5 156.39 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.923 0 CA-C-N 115.313 -0.444 . . . . 0.0 110.169 -174.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 67.3 mt -150.55 142.2 23.62 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 174.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.56 HG22 HG13 ' A' ' 63' ' ' ILE . 39.4 p -74.1 139.67 44.76 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.281 170.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 70.7 m-85 -51.31 -40.65 59.47 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.646 0.736 . . . . 0.0 110.394 178.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -82.11 -25.34 34.55 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.7 -25.71 62.2 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 118.576 -1.249 . . . . 0.0 107.799 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.519 HG23 HD13 ' A' ' 19' ' ' LEU . 84.5 mt -67.49 -42.91 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-N 113.954 -1.476 . . . . 0.0 109.211 175.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.29 -28.81 67.51 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.266 1.027 . . . . 0.0 111.334 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -51.6 68.89 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 123.707 0.803 . . . . 0.0 110.411 -175.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -69.95 -24.5 63.36 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.965 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.459 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.3 mmt -84.38 -6.64 59.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 m -61.34 -27.46 68.52 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.386 0.613 . . . . 0.0 109.934 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -60.86 -29.89 69.8 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.859 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' HB2' HG12 ' A' ' 43' ' ' ILE . 28.5 m-85 -110.36 -5.43 15.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.289 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 60.26 39.03 19.54 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.083 0.953 . . . . 0.0 111.253 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.559 HG12 ' HB2' ' A' ' 41' ' ' PHE . 45.1 mm -63.68 126.91 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.741 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -75.89 159.85 30.52 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.504 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -57.43 -34.49 69.01 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 123.859 0.864 . . . . 0.0 111.297 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.83 -49.36 73.15 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 121.427 0.632 . . . . 0.0 109.607 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.02 -37.12 86.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.516 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.517 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -59.35 -42.0 90.52 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.694 176.73 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' HA ' ' CD1' ' A' ' 52' ' ' TYR . 23.5 t70 -61.78 -38.56 88.52 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.666 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.4 -40.02 89.44 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.604 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CE2' HD11 ' A' ' 55' ' ' LEU . 23.1 t80 -71.09 -36.68 72.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.334 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 49' ' ' ASP . 23.0 m-85 -62.54 -42.6 99.63 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.578 0.704 . . . . 0.0 110.699 -179.088 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.22 -38.87 92.85 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.507 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.416 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 37.4 t80 -60.96 -51.6 68.59 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.941 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 96.9 mt -57.75 -39.86 78.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.155 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.37 -41.63 98.56 Favored Glycine 0 CA--C 1.511 -0.218 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.516 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -65.17 -31.19 72.25 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.475 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 79.8 mm-40 -78.35 -47.9 16.71 Favored 'General case' 0 C--O 1.227 -0.131 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.83 51.64 0.06 OUTLIER Glycine 0 C--N 1.308 -1.02 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.44 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.452 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 30.4 t -133.31 128.01 54.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 46.8 mt-10 -89.97 140.06 29.99 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 172.461 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.6 mm? -102.8 116.75 33.17 Favored 'General case' 0 N--CA 1.41 -2.462 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.758 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.56 HG13 HG22 ' A' ' 30' ' ' THR . 4.6 pt . . . . . 0 CA--C 1.483 -1.623 0 CA-C-O 122.145 0.974 . . . . 0.0 111.739 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HB2' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.416 -2.163 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.519 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 14.7 p -98.77 173.56 6.82 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -64.02 -39.54 94.33 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 122.742 1.258 . . . . 0.0 110.043 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.445 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 28.4 m-20 -67.45 -34.58 77.49 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 112.586 -2.097 . . . . 0.0 112.571 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.519 ' HB2' ' H ' ' A' ' 11' ' ' THR . 87.9 mm-40 -73.58 -37.75 65.39 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' HB2' ' A' ' 10' ' ' LEU . 54.6 t -71.99 -39.93 67.12 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.454 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -177.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.8 mtmt -55.62 -49.21 73.44 Favored 'General case' 0 N--CA 1.415 -2.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.884 171.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.79 -27.6 69.41 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -68.24 -58.05 5.03 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' O ' HD11 ' A' ' 29' ' ' LEU . 34.8 mt -64.27 -41.9 96.71 Favored 'General case' 0 N--CA 1.407 -2.586 0 CA-C-N 113.568 -1.651 . . . . 0.0 111.875 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 20.5 m -59.92 -52.82 63.8 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.901 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.5 tt0 -64.33 -38.79 92.3 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.927 0.87 . . . . 0.0 110.232 -174.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.9 m -64.92 -47.08 79.01 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.542 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.52 -33.1 85.44 Favored Glycine 0 C--O 1.2 -1.994 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.451 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 28.8 mmmt -66.93 -29.97 69.99 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 177.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 94.8 mttt -76.6 -46.17 27.18 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 122.021 0.915 . . . . 0.0 109.637 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -77.06 -48.01 19.02 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.304 -173.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.45 6.74 50.15 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 113.615 -1.63 . . . . 0.0 109.121 -174.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -160.26 156.83 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 CA-C-N 115.162 -0.519 . . . . 0.0 111.269 -171.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 58.9 mt -151.59 136.37 17.17 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 125.104 1.362 . . . . 0.0 108.254 174.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.736 HG22 HG13 ' A' ' 63' ' ' ILE . 38.8 p -80.99 144.65 31.66 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 117.927 0.33 . . . . 0.0 110.275 173.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' HD1' ' CZ ' ' A' ' 52' ' ' TYR . 98.4 m-85 -56.34 -37.94 70.67 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.034 0.445 . . . . 0.0 110.828 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.58 -39.93 95.27 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.354 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.4 pt-20 -77.47 -28.05 52.17 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -176.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.407 HG23 HD13 ' A' ' 19' ' ' LEU . 85.3 mt -67.35 -47.68 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.003 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.4 -28.5 67.97 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.749 0.82 . . . . 0.0 110.647 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.89 -55.54 32.87 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.859 -174.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -71.46 -21.86 61.9 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.684 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.431 ' HG3' ' HE1' ' A' ' 48' ' ' MET . 25.1 mmt -85.56 -7.48 58.84 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.104 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.5 m -64.9 -21.94 66.91 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -65.59 -37.3 86.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.42 0.628 . . . . 0.0 109.513 175.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HB2' HG12 ' A' ' 43' ' ' ILE . 34.5 m-85 -90.33 -25.37 20.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.94 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 68.62 62.17 0.35 Allowed 'General case' 0 C--O 1.243 0.752 0 C-N-CA 124.752 1.221 . . . . 0.0 109.365 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 41' ' ' PHE . 38.2 mm -87.03 127.94 40.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 113.917 -1.492 . . . . 0.0 108.918 -178.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -79.88 168.05 19.76 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 123.736 0.814 . . . . 0.0 111.75 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -60.18 -35.03 74.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.97 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.72 -49.06 76.33 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.131 0.967 . . . . 0.0 110.131 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.446 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 40.6 mt-30 -72.48 -39.94 67.32 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.893 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.487 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -62.8 -38.36 90.38 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.26 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.94 -48.04 64.46 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.417 1.087 . . . . 0.0 111.421 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.14 -33.49 75.56 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.949 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -70.5 -37.14 74.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.401 ' CZ ' ' HD1' ' A' ' 31' ' ' TYR . 22.6 m-85 -61.26 -44.04 97.89 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.818 0.818 . . . . 0.0 109.635 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 39.8 tt0 -62.82 -42.71 99.84 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 113.822 -1.535 . . . . 0.0 109.603 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.493 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 42.3 t80 -59.44 -50.9 72.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.447 176.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.8 mt -56.98 -43.44 81.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.509 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.61 -39.45 95.12 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.626 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 20.6 mm-40 -64.44 -34.13 77.48 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 120.951 0.405 . . . . 0.0 111.612 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 22.3 mm-40 -77.21 -46.57 22.82 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.83 50.05 0.06 OUTLIER Glycine 0 C--N 1.298 -1.56 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.684 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 26.6 t -131.92 127.32 58.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.93 130.21 38.59 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -92.92 109.24 20.68 Favored 'General case' 0 N--CA 1.427 -1.617 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.275 -179.326 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.736 HG13 HG22 ' A' ' 30' ' ' THR . 33.0 pt . . . . . 0 C--N 1.308 -1.21 0 CA-C-O 121.733 0.778 . . . . 0.0 112.621 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.4 p -99.56 175.53 5.8 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.25 -35.42 80.98 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 122.626 1.203 . . . . 0.0 110.505 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.9 -40.45 97.6 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 112.639 -2.073 . . . . 0.0 111.495 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 14' ' ' GLN . 15.7 mm-40 -75.78 -35.68 60.03 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.532 0.682 . . . . 0.0 110.765 -177.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.4 t -72.51 -39.58 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.547 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.169 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -56.39 -49.98 72.9 Favored 'General case' 0 N--CA 1.412 -2.34 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.257 0.4 OUTLIER -63.99 -22.05 66.76 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 176.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.2 pt20 -70.06 -48.89 55.97 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.451 HD13 HG23 ' A' ' 34' ' ' ILE . 53.4 mt -68.08 -38.39 82.3 Favored 'General case' 0 N--CA 1.405 -2.681 0 CA-C-N 113.259 -1.791 . . . . 0.0 112.479 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 49.0 m -57.14 -53.33 59.28 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 124.009 0.818 . . . . 0.0 108.85 177.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.1 tt0 -62.76 -43.04 99.84 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.279 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.1 m -63.71 -47.41 81.22 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.47 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.96 92.74 Favored Glycine 0 C--O 1.205 -1.691 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.9 mmmt -65.76 -32.2 73.61 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 177.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 29.6 mtpp -74.68 -35.68 62.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.449 0.642 . . . . 0.0 111.074 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' A' ' 28' ' ' VAL . 97.2 mtt180 -86.55 -54.58 4.32 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 122.183 0.992 . . . . 0.0 112.288 -176.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.95 -0.16 27.13 Favored Glycine 0 N--CA 1.426 -2.023 0 CA-C-N 113.357 -1.747 . . . . 0.0 109.739 -173.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.2 p -159.79 158.42 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.675 0 CA-C-N 115.431 -0.384 . . . . 0.0 110.317 -173.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.4 mt -149.25 139.19 22.0 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 124.733 1.213 . . . . 0.0 108.401 174.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.471 HG22 HG13 ' A' ' 63' ' ' ILE . 25.5 p -75.92 141.02 42.4 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 171.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 52' ' ' TYR . 59.6 m-85 -53.27 -41.79 65.88 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.13 0.49 . . . . 0.0 112.079 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -70.18 -33.73 72.1 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.3 pt-20 -74.67 -22.74 58.71 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 119.222 -0.991 . . . . 0.0 109.069 -176.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.451 HG23 HD13 ' A' ' 19' ' ' LEU . 89.5 mt -71.66 -41.56 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.458 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.78 -28.32 68.29 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.06 0.944 . . . . 0.0 110.917 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.78 -53.04 62.54 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.052 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -71.79 -23.39 61.56 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.329 -177.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.8 mmt -84.92 -6.43 59.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.755 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -76.03 -12.99 60.23 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.151 0.501 . . . . 0.0 109.727 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -72.93 -25.93 61.21 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 173.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -105.38 -171.36 1.9 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -122.62 91.59 3.53 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 173.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.9 mm -112.13 122.52 66.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.802 -175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 42.9 mt-10 -70.51 154.39 41.93 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.22 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.0 t -63.26 -26.65 68.88 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.4 0.619 . . . . 0.0 109.498 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.46 -45.0 95.05 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.349 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' ' HB2' ' A' ' 44' ' ' GLU . 60.9 mt-30 -72.55 -35.82 68.11 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.274 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.52 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -57.68 -41.63 81.98 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.573 177.466 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.56 -35.82 80.69 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.883 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.7 -43.02 94.27 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -69.44 -39.0 78.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.146 177.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.413 ' CZ ' ' HD2' ' A' ' 31' ' ' TYR . 23.0 m-85 -61.58 -44.67 96.59 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 120.985 0.421 . . . . 0.0 111.4 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 35.4 tt0 -64.49 -39.21 93.37 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.699 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.98 -51.3 70.23 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 123.944 0.777 . . . . 0.0 109.712 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.498 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.1 mt -56.61 -45.23 81.58 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.55 179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.25 -40.46 97.4 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.749 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 89.9 mt-10 -65.73 -32.31 73.79 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 177.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 86.5 mm-40 -78.44 -43.45 27.2 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.18 40.8 0.1 Allowed Glycine 0 C--N 1.294 -1.787 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.195 176.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 23.7 t -125.27 124.53 67.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 51.7 mt-10 -91.52 135.82 33.58 Favored 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -99.25 116.11 30.69 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.184 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 30' ' ' THR . 24.1 pt . . . . . 0 C--N 1.304 -1.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.485 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.409 -2.476 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.494 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 33.8 p -105.75 179.17 4.35 Favored 'General case' 0 N--CA 1.411 -2.38 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -61.23 -36.67 80.59 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.106 0.955 . . . . 0.0 111.536 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -63.04 -42.4 99.72 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 113.595 -1.638 . . . . 0.0 110.722 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.588 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 11.4 mm100 -73.18 -40.14 65.03 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.184 -172.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 70.3 t -70.78 -38.39 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.899 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -56.95 -47.08 81.51 Favored 'General case' 0 N--CA 1.408 -2.559 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.332 173.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.5 -28.0 69.53 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.1 pt20 -70.61 -51.21 29.74 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.082 0.944 . . . . 0.0 108.763 -178.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' HD11 ' A' ' 29' ' ' LEU . 29.4 mt -66.69 -42.34 86.64 Favored 'General case' 0 N--CA 1.416 -2.168 0 CA-C-N 113.642 -1.617 . . . . 0.0 112.245 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -57.77 -50.88 71.77 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.051 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG2' ' HD2' ' A' ' 25' ' ' LYS . 28.9 tt0 -63.15 -40.44 97.58 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.604 0.716 . . . . 0.0 109.649 -176.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.0 m -63.13 -45.33 92.44 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.609 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.95 -35.92 92.47 Favored Glycine 0 N--CA 1.425 -2.068 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 26.4 mmmt -64.55 -36.54 84.56 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' HG2' ' A' ' 21' ' ' GLU . 43.3 mtpt -76.05 -32.17 59.18 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.139 0.495 . . . . 0.0 111.451 -179.031 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -89.75 -52.76 4.83 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 122.577 1.179 . . . . 0.0 112.48 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.26 -1.01 26.71 Favored Glycine 0 N--CA 1.434 -1.484 0 CA-C-N 113.454 -1.703 . . . . 0.0 109.955 -174.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 11.2 p -159.45 150.66 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 CA-C-O 121.071 0.462 . . . . 0.0 111.053 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 19' ' ' LEU . 60.9 mt -138.08 145.45 41.73 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.849 175.415 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.505 HG22 HG13 ' A' ' 63' ' ' ILE . 32.1 p -79.68 139.37 37.4 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -54.61 -36.89 64.94 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 121.131 0.491 . . . . 0.0 111.546 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -78.64 -26.77 45.25 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -172.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.9 pt-20 -74.38 -26.14 59.92 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 38' ' ' MET . 81.6 mt -68.95 -43.04 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.687 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.609 176.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.01 -33.42 74.57 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.827 0.822 . . . . 0.0 110.209 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 29.0 tt0 -59.39 -51.87 68.05 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 125.325 1.45 . . . . 0.0 111.631 -173.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -72.47 -21.7 61.18 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.038 0.447 . . . . 0.0 110.676 -177.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.7 mmt -85.6 2.7 43.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.639 -178.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.4 p -66.22 -17.51 64.78 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.3 0.572 . . . . 0.0 111.973 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.9 m -74.21 -20.74 60.09 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 121.564 0.697 . . . . 0.0 109.644 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.7 m-85 -112.64 -177.57 3.18 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -119.68 72.83 0.93 Allowed 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 41' ' ' PHE . 37.8 mm -92.59 119.7 40.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.153 -174.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.99 156.61 39.04 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.183 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.7 m -60.45 -27.51 67.58 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.57 -46.19 80.4 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -66.51 -38.92 88.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.34 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -61.09 -40.53 94.07 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.303 177.544 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.08 -35.93 81.9 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.184 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.69 -43.34 99.05 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.685 0.755 . . . . 0.0 109.153 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -68.22 -36.59 79.74 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.271 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -62.85 -40.25 96.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.995 0.426 . . . . 0.0 110.401 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.97 -45.63 88.24 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.767 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.444 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 44.9 t80 -56.81 -50.32 72.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.706 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.528 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 91.7 mt -57.94 -43.26 86.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.365 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.49 -40.76 98.16 Favored Glycine 0 C--O 1.241 0.532 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.231 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.73 -33.86 76.6 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 123.292 0.637 . . . . 0.0 112.3 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 73.7 mm-40 -79.8 -39.5 30.69 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.2 43.43 0.15 Allowed Glycine 0 C--N 1.303 -1.27 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.647 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.4 t -127.28 125.04 65.31 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 46.5 mt-10 -92.57 142.42 27.42 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 174.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.6 121.45 42.95 Favored 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.221 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 30' ' ' THR . 29.6 pt . . . . . 0 C--N 1.307 -1.274 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.659 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.413 -2.281 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.528 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 49.0 p -100.67 178.13 4.8 Favored 'General case' 0 N--CA 1.411 -2.403 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.5 -38.78 87.98 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.654 1.216 . . . . 0.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.53 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -65.86 -34.99 79.41 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 112.728 -2.033 . . . . 0.0 111.986 175.815 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.528 ' HB2' ' H ' ' A' ' 11' ' ' THR . 26.3 mm-40 -73.32 -40.23 64.65 Favored 'General case' 0 CA--C 1.494 -1.189 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.361 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.0 t -70.54 -36.79 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.924 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.53 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.1 mtmt -57.22 -47.25 81.79 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.639 171.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.17 -30.13 70.84 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.8 pt20 -70.36 -50.4 39.33 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 122.286 1.041 . . . . 0.0 108.702 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.457 HD13 HG23 ' A' ' 34' ' ' ILE . 27.8 mt -66.18 -39.26 89.59 Favored 'General case' 0 N--CA 1.411 -2.401 0 CA-C-N 113.488 -1.687 . . . . 0.0 112.307 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 17.0 m -58.82 -52.55 65.22 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.848 0.717 . . . . 0.0 110.538 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 10.1 tp10 -63.7 -41.12 98.16 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.111 0.957 . . . . 0.0 110.199 -175.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 24.0 m -65.35 -43.97 89.16 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.504 -177.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.24 -34.23 88.97 Favored Glycine 0 C--O 1.206 -1.608 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.8 mmmt -64.34 -33.76 76.58 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 177.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.9 mtpp -74.82 -39.63 61.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.076 0.941 . . . . 0.0 110.336 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 22' ' ' SER . 95.0 mtt180 -82.95 -44.2 15.58 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.715 -173.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.76 7.95 58.53 Favored Glycine 0 N--CA 1.423 -2.182 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 -175.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 8.9 p -166.66 156.72 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -2.019 0 CA-C-N 115.114 -0.543 . . . . 0.0 110.582 -173.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.2 mt -149.52 137.47 20.43 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 124.787 1.235 . . . . 0.0 108.108 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.538 HG22 HG13 ' A' ' 63' ' ' ILE . 27.2 p -76.74 141.84 40.67 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -56.21 -41.87 76.29 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 121.442 0.639 . . . . 0.0 110.948 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.61 -16.45 61.24 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -174.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.5 pt-20 -88.86 -25.25 22.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 118.876 -1.13 . . . . 0.0 108.007 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.457 HG23 HD13 ' A' ' 19' ' ' LEU . 79.8 mt -68.82 -41.56 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 176.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.18 -28.6 67.41 Favored 'General case' 0 N--CA 1.432 -1.358 0 C-N-CA 124.395 1.078 . . . . 0.0 110.296 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -62.09 -48.3 80.79 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 124.764 1.226 . . . . 0.0 110.655 -174.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 8.8 mmt85 -73.39 -27.52 61.51 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.981 0.419 . . . . 0.0 110.95 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.6 mmt -83.18 -9.12 59.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.596 -177.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.1 m -59.09 -29.88 67.68 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 122.581 0.352 . . . . 0.0 111.279 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 m -63.26 -32.9 74.42 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -93.75 -26.78 16.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.301 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 63.76 72.28 0.47 Allowed 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.856 0.862 . . . . 0.0 109.031 -173.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 36.1 mm -86.82 133.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.148 -175.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.91 151.47 46.67 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.768 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -60.52 -29.18 68.95 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.067 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.98 -53.52 57.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.44 0.696 . . . . 0.0 109.923 175.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 39.0 mt-30 -72.35 -32.09 66.18 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.253 -177.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.504 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.2 OUTLIER -62.83 -47.65 82.51 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.662 178.74 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.71 -42.23 88.2 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.146 0.578 . . . . 0.0 109.97 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.14 -43.4 95.76 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.399 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -68.45 -38.65 81.33 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.873 177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -61.99 -41.83 98.47 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.33 0.586 . . . . 0.0 111.196 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 30.2 tt0 -64.97 -42.11 94.85 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.436 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.45 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 40.3 t80 -57.2 -51.3 69.87 Favored 'General case' 0 N--CA 1.444 -0.739 0 O-C-N 123.659 0.599 . . . . 0.0 110.383 175.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 80.1 mt -57.57 -41.55 81.31 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.143 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.86 -38.24 95.02 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.7 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.6 mm-40 -63.33 -36.83 84.98 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 122.656 0.382 . . . . 0.0 111.921 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 63.4 mm-40 -77.97 -44.85 25.54 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -177.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.09 36.45 0.1 OUTLIER Glycine 0 C--N 1.304 -1.207 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.177 174.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.4 t -119.96 126.02 74.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 39.9 mt-10 -90.68 133.07 35.41 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.431 HD12 HD11 ' A' ' 34' ' ' ILE . 1.2 mm? -100.07 111.95 24.24 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.129 -178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.538 HG13 HG22 ' A' ' 30' ' ' THR . 33.8 pt . . . . . 0 C--N 1.304 -1.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.625 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.427 -1.583 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.547 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 12.4 p -96.26 174.88 6.67 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -64.22 -37.17 86.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.888 1.328 . . . . 0.0 110.199 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.61 -42.27 98.64 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 112.014 -2.357 . . . . 0.0 110.483 174.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.547 ' HB2' ' H ' ' A' ' 11' ' ' THR . 87.7 mm-40 -76.44 -35.04 58.71 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.909 -175.4 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 44.4 t -72.29 -40.0 64.58 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.623 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -55.84 -47.76 76.66 Favored 'General case' 0 N--CA 1.411 -2.408 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.25 53.7 mt-10 -65.15 -24.99 67.55 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.8 pt20 -70.93 -49.9 40.62 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.31 -41.39 96.86 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 113.574 -1.648 . . . . 0.0 111.549 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 8.5 m -60.59 -50.83 71.96 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.522 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.7 tp10 -60.4 -44.38 95.74 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 m -62.09 -49.31 76.44 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.429 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.66 -35.5 92.12 Favored Glycine 0 C--O 1.211 -1.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.301 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.5 mmmt -64.76 -31.32 72.49 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.816 0.362 . . . . 0.0 111.344 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.6 mtpp -74.53 -43.31 56.42 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.721 0.772 . . . . 0.0 110.213 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -78.27 -48.13 16.39 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.53 -173.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.54 9.37 47.1 Favored Glycine 0 N--CA 1.42 -2.411 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -173.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -164.94 156.75 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.723 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.23 -173.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 56.4 mt -152.65 135.22 15.26 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 125.07 1.348 . . . . 0.0 108.051 174.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.55 HG22 HG13 ' A' ' 63' ' ' ILE . 33.6 p -75.99 144.88 40.67 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 172.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -56.01 -37.31 68.97 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 121.664 0.745 . . . . 0.0 110.788 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.25 -28.69 63.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 30' ' ' THR . 12.9 pt-20 -79.22 -28.85 42.53 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.442 HD11 HD12 ' A' ' 62' ' ' LEU . 83.9 mt -66.15 -42.55 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.52 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.29 73.3 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 123.84 0.856 . . . . 0.0 110.719 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.76 -44.01 97.31 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.394 -172.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 mmt-85 -70.94 -25.45 62.74 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.665 0.745 . . . . 0.0 110.033 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.3 mmt -82.42 1.33 37.91 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.979 -175.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.8 p -71.71 -14.15 61.94 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 122.059 0.933 . . . . 0.0 109.757 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 m -67.13 -29.93 69.8 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.009 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.465 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.9 m-85 -115.79 -172.1 2.1 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.935 0.894 . . . . 0.0 108.88 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.35 83.78 2.04 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.465 HG12 ' HB2' ' A' ' 41' ' ' PHE . 48.3 mm -95.9 125.21 48.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-O 122.139 0.971 . . . . 0.0 110.231 -176.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -78.55 168.52 19.66 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.686 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -67.06 -34.33 77.43 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -71.99 -36.74 69.86 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-O 121.756 0.788 . . . . 0.0 109.508 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -64.6 -45.07 88.5 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 114.084 -1.416 . . . . 0.0 109.236 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.489 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.1 mmt -63.57 -47.48 81.32 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.963 176.102 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.475 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 35.5 t70 -63.07 -38.25 90.43 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.3 -36.57 84.54 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' A' ' 55' ' ' LEU . 23.6 t80 -69.09 -37.03 78.21 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 22.9 m-85 -61.84 -42.47 99.08 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.22 0.533 . . . . 0.0 110.465 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.1 tp10 -64.08 -45.74 87.38 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.292 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 49.4 t80 -55.59 -51.14 68.13 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.247 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.431 HD11 ' CE2' ' A' ' 51' ' ' TYR . 82.3 mt -57.14 -42.03 80.21 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.237 0.542 . . . . 0.0 111.582 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.88 99.28 Favored Glycine 0 CA--C 1.503 -0.658 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.104 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 42.9 mt-10 -63.26 -35.05 79.04 Favored 'General case' 0 N--CA 1.427 -1.603 0 C-N-CA 122.676 0.391 . . . . 0.0 110.996 178.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 24.2 mm-40 -78.17 -48.93 14.81 Favored 'General case' 0 C--N 1.346 0.434 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.55 54.86 0.04 OUTLIER Glycine 0 C--N 1.301 -1.401 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.819 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.8 t -138.33 131.52 40.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -93.02 130.48 38.59 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.523 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -95.97 103.43 15.32 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.506 178.817 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.55 HG13 HG22 ' A' ' 30' ' ' THR . 32.2 pt . . . . . 0 C--N 1.295 -1.771 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.993 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.638 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.424 -1.729 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.649 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 8.0 p -100.98 178.22 4.73 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.78 -37.85 88.3 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.845 1.307 . . . . 0.0 110.851 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -62.31 -42.34 99.29 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 112.398 -2.183 . . . . 0.0 109.878 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.649 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 63.1 mm-40 -75.97 -34.83 59.81 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.421 -171.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 54.9 t -71.02 -42.08 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -55.84 -47.62 76.95 Favored 'General case' 0 N--CA 1.418 -2.03 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.939 172.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.53 -29.98 70.35 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 1.9 pt20 -69.97 -49.59 50.15 Favored 'General case' 0 CA--C 1.481 -1.694 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.502 ' O ' HD11 ' A' ' 29' ' ' LEU . 33.1 mt -66.34 -41.26 89.83 Favored 'General case' 0 N--CA 1.404 -2.766 0 CA-C-N 113.55 -1.659 . . . . 0.0 112.008 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.569 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 23.5 m -58.37 -55.6 32.98 Favored 'General case' 0 CA--C 1.501 -0.925 0 O-C-N 123.847 0.717 . . . . 0.0 109.347 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 36.2 tt0 -64.1 -41.79 97.15 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.909 -174.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 54.4 m -61.32 -48.19 82.48 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.155 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.48 89.77 Favored Glycine 0 C--O 1.206 -1.622 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 20' ' ' THR . 28.1 mmmt -63.94 -35.07 79.48 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 122.665 0.386 . . . . 0.0 111.53 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.4 mtpp -73.93 -47.71 35.83 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.733 0.778 . . . . 0.0 109.693 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 22' ' ' SER . 70.4 mtp180 -76.06 -47.0 26.36 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.339 -172.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.05 3.2 51.68 Favored Glycine 0 N--CA 1.425 -2.094 0 CA-C-N 113.472 -1.695 . . . . 0.0 109.072 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.9 p -160.99 157.16 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.898 0 CA-C-N 115.067 -0.566 . . . . 0.0 110.993 -172.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 19' ' ' LEU . 67.1 mt -152.1 132.02 13.35 Favored 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 124.632 1.173 . . . . 0.0 108.461 174.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.546 HG22 HG13 ' A' ' 63' ' ' ILE . 22.5 p -72.16 141.88 49.1 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 118.429 0.559 . . . . 0.0 110.735 173.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -53.15 -33.35 52.12 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 122.788 0.435 . . . . 0.0 111.563 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.24 -41.08 74.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.356 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.8 pt-20 -74.99 -25.58 58.94 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.798 0.808 . . . . 0.0 109.525 -175.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.445 HD11 HD12 ' A' ' 62' ' ' LEU . 73.4 mt -69.68 -40.78 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.124 176.213 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -35.25 77.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.725 0.81 . . . . 0.0 110.298 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.77 -51.48 68.74 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.87 1.268 . . . . 0.0 112.034 -175.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -70.44 -29.39 65.96 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.731 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 mmt -82.54 -5.0 58.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.2 p -78.73 -2.08 37.65 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.575 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -72.08 -26.2 62.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 171.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.4 m-85 -112.52 -170.39 1.66 Allowed 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -114.48 75.98 0.96 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.547 HG12 ' HB2' ' A' ' 41' ' ' PHE . 29.4 mm -105.67 113.47 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.196 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -79.58 164.84 23.52 Favored 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 114.218 -1.356 . . . . 0.0 110.925 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 p -58.87 -32.02 69.09 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.043 0.937 . . . . 0.0 109.982 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.54 -49.61 72.19 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 125.256 1.422 . . . . 0.0 109.854 177.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -77.45 -37.75 50.86 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.057 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.482 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -56.14 -41.38 75.27 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.355 177.341 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' HA ' ' CD1' ' A' ' 52' ' ' TYR . 19.4 t70 -58.64 -38.41 78.01 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 124.442 1.097 . . . . 0.0 110.945 178.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.3 -39.4 89.32 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.39 -0.823 . . . . 0.0 108.893 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.44 ' CE2' HD11 ' A' ' 55' ' ' LEU . 25.2 t80 -70.2 -34.34 72.81 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.755 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 49' ' ' ASP . 22.8 m-85 -62.19 -38.99 91.21 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.196 0.522 . . . . 0.0 110.946 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.01 -47.85 81.34 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.407 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 49.9 t80 -54.27 -52.8 60.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.956 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.453 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.5 mt -58.02 -43.39 86.69 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.371 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.66 96.87 Favored Glycine 0 CA--C 1.51 -0.278 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.236 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.72 -33.67 76.15 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 76.6 mm-40 -80.54 -46.88 15.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.01 -178.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.9 47.1 0.04 OUTLIER Glycine 0 C--N 1.308 -1.015 0 C-N-CA 119.96 -1.114 . . . . 0.0 112.766 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.453 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.7 t -136.87 124.03 31.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 42.5 mt-10 -91.31 131.15 37.0 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 174.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -94.19 109.11 20.92 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.215 -178.915 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.546 HG13 HG22 ' A' ' 30' ' ' THR . 23.2 pt . . . . . 0 CA--C 1.459 -2.529 0 CA-C-O 122.918 1.342 . . . . 0.0 114.075 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 CA-C-O 120.526 0.203 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 24.6 t70 -86.25 101.89 13.45 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -49.08 151.87 1.23 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -170.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.49 ' HB3' ' HG3' ' A' ' 14' ' ' GLN . 11.2 pt20 -86.7 173.83 9.23 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 p -87.11 174.36 8.69 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.845 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -73.3 -23.29 60.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.166 0.508 . . . . 0.0 109.927 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.4 5.54 14.7 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 m 73.71 15.47 4.01 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 124.795 1.238 . . . . 0.0 110.883 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -83.5 119.71 25.02 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -100.67 171.73 7.52 Favored 'General case' 0 C--N 1.277 -2.556 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.394 -171.021 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.533 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 70.1 p -101.31 175.73 5.48 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -59.47 -37.71 78.91 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.959 1.362 . . . . 0.0 109.868 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 30.8 t70 -64.64 -41.1 96.37 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 112.059 -2.337 . . . . 0.0 112.347 175.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.625 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 27.7 mm-40 -74.76 -34.17 62.44 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 121.392 0.615 . . . . 0.0 110.383 -175.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 66.0 t -71.04 -39.81 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.092 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 8.3 mtmp? -55.97 -49.47 73.47 Favored 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.516 172.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -62.22 -28.94 70.04 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.7 pt20 -70.47 -52.54 21.36 Favored 'General case' 0 C--N 1.371 1.532 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.484 ' O ' HD11 ' A' ' 29' ' ' LEU . 35.0 mt -64.53 -35.14 80.01 Favored 'General case' 0 N--CA 1.41 -2.466 0 CA-C-N 113.493 -1.685 . . . . 0.0 111.429 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 12.6 m -59.39 -51.77 68.5 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.003 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.8 -42.63 97.68 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.319 0.58 . . . . 0.0 110.485 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.1 m -60.55 -48.51 81.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.067 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.98 92.77 Favored Glycine 0 C--O 1.209 -1.448 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.031 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.7 mmmt -65.1 -33.34 75.8 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 122.656 0.382 . . . . 0.0 112.005 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.13 -40.92 59.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.706 0.765 . . . . 0.0 110.943 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -83.27 -46.48 12.6 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.457 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.92 9.88 50.96 Favored Glycine 0 N--CA 1.427 -1.955 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 -174.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.6 p -164.68 156.92 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.686 0 CA-C-N 115.098 -0.551 . . . . 0.0 110.815 -173.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 19' ' ' LEU . 58.8 mt -153.04 132.48 12.9 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 124.951 1.3 . . . . 0.0 108.633 174.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.548 HG22 HG13 ' A' ' 63' ' ' ILE . 40.7 p -73.9 145.96 44.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -58.66 -39.47 80.69 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -77.92 -22.42 49.67 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 119.07 -1.052 . . . . 0.0 112.862 -173.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.3 pt-20 -77.18 -24.95 51.41 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.455 ' O ' ' HG2' ' A' ' 38' ' ' MET . 93.4 mt -73.23 -43.53 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.356 175.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.77 69.64 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.543 1.137 . . . . 0.0 110.917 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.27 -53.4 58.56 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 125.698 1.599 . . . . 0.0 110.61 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -72.66 -26.64 61.71 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.809 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.3 mmt -82.74 -2.57 54.69 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.987 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -73.69 -11.99 60.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.946 0.879 . . . . 0.0 109.28 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.8 m -75.03 -22.17 58.6 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.818 0.818 . . . . 0.0 109.374 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -113.95 -173.83 2.35 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.202 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -115.24 87.3 2.63 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mm -115.67 116.81 53.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 CA-C-O 121.316 0.579 . . . . 0.0 110.447 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.53 165.31 24.49 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.999 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 p -58.47 -35.85 72.81 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 124.359 1.064 . . . . 0.0 111.075 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.43 -45.11 89.14 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.456 0.702 . . . . 0.0 110.81 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -74.13 -38.64 63.72 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -58.28 -42.56 86.84 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.005 176.197 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -53.71 -45.69 70.52 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.404 1.082 . . . . 0.0 110.531 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.06 -41.35 87.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.336 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.433 ' CE2' HD11 ' A' ' 55' ' ' LEU . 20.1 t80 -70.12 -38.17 75.5 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.325 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -62.55 -41.28 98.8 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 121.347 0.594 . . . . 0.0 110.585 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -62.67 -46.05 89.98 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.939 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.639 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 36.2 t80 -54.89 -54.55 41.07 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.396 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.444 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 85.5 mt -57.13 -45.21 83.71 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.08 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.9 -42.69 94.87 Favored Glycine 0 CA--C 1.504 -0.621 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.313 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.59 -29.37 68.71 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 66.6 mm-40 -80.0 -44.21 20.6 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.98 45.15 0.05 OUTLIER Glycine 0 C--N 1.3 -1.431 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.066 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 24.0 t -131.62 125.13 55.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 44.5 mt-10 -90.74 131.99 36.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -97.05 109.03 21.87 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.628 179.402 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 30' ' ' THR . 17.5 pt -91.02 174.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' A' ' 30' ' ' THR . 7.9 t -74.17 -82.32 0.06 Allowed 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.319 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 167.81 -31.0 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.183 0 C-N-CA 126.722 2.009 . . . . 0.0 106.593 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -68.46 -3.37 11.18 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.085 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 13.5 pt-20 -139.76 147.51 40.93 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 44.3 tt0 162.95 123.95 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.603 0 O-C-N 125.554 1.784 . . . . 0.0 109.194 176.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 t -171.55 -11.87 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 175.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -65.47 -25.69 67.6 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.14 0.971 . . . . 0.0 110.498 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -113.04 -0.53 14.7 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.879 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.4 mt -84.77 70.31 10.81 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 122.078 0.942 . . . . 0.0 112.72 -176.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -130.22 6.26 4.92 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.156 -1.384 . . . . 0.0 107.518 173.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -122.47 136.39 54.88 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.941 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -79.39 -46.62 17.23 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 171.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 . . . . . 0 N--CA 1.437 -1.079 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 174.151 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 4' ' ' GLN . . . . . . . . 0 CA--C 1.515 -0.393 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -86.21 -47.94 9.0 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.099 0.476 . . . . 0.0 111.069 -175.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -104.04 -31.34 9.74 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.395 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.589 ' O ' ' HB3' ' A' ' 1' ' ' ALA . 19.7 tp60 -102.11 145.43 29.36 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -69.02 142.3 54.63 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 171.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -75.33 124.49 27.2 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 75.37 78.96 0.1 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.174 1.389 . . . . 0.0 110.45 -176.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.7 m -164.25 174.12 11.53 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 101.641 -3.466 . . . . 0.0 101.641 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.59 133.27 42.23 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 120.755 1.616 . . . . 0.0 107.913 172.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.533 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -134.17 171.0 14.84 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 119.814 -0.755 . . . . 0.0 111.139 -176.592 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.613 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 20.8 p -101.13 179.47 4.36 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -60.19 -39.99 88.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 123.048 1.404 . . . . 0.0 111.064 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.93 -34.22 77.3 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 112.364 -2.198 . . . . 0.0 113.064 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.613 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 8.9 mm-40 -77.95 -36.39 49.29 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.369 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 48.3 t -71.81 -36.82 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.719 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.713 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -54.41 -46.82 73.22 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 172.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.3 -27.07 69.08 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.0 pt20 -72.05 -49.28 37.96 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' O ' HD11 ' A' ' 29' ' ' LEU . 65.9 mt -66.67 -40.27 88.52 Favored 'General case' 0 N--CA 1.415 -2.186 0 CA-C-N 113.135 -1.848 . . . . 0.0 111.482 -176.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.54 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 15.8 m -58.5 -49.63 76.68 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 124.163 0.914 . . . . 0.0 109.603 177.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.513 ' HG2' ' HE3' ' A' ' 25' ' ' LYS . 35.9 tt0 -61.92 -43.19 99.36 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.939 -177.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 m -63.73 -45.84 88.09 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.466 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.31 -32.91 85.76 Favored Glycine 0 C--O 1.208 -1.486 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.806 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.7 mmmt -65.38 -31.6 72.8 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HE3' ' HG2' ' A' ' 21' ' ' GLU . 91.9 mttt -74.85 -42.26 58.29 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.848 0.832 . . . . 0.0 110.011 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -84.44 -49.72 8.41 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 122.54 1.162 . . . . 0.0 112.663 -173.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.93 8.89 41.2 Favored Glycine 0 N--CA 1.425 -2.056 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 -173.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.604 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.7 p -164.15 157.22 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.61 0 CA-C-N 115.23 -0.485 . . . . 0.0 110.427 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.456 HD11 ' O ' ' A' ' 19' ' ' LEU . 62.9 mt -151.06 142.05 23.01 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 124.694 1.198 . . . . 0.0 108.603 175.6 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.409 ' HA ' HG13 ' A' ' 63' ' ' ILE . 20.5 p -76.08 143.93 41.02 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 118.246 0.475 . . . . 0.0 110.015 171.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 38.2 m-85 -57.96 -35.36 71.05 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.89 0.376 . . . . 0.0 110.418 176.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.83 -33.41 66.16 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -174.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 30' ' ' THR . 12.9 pt-20 -74.35 -29.89 61.77 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 119.229 -0.989 . . . . 0.0 108.593 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.425 HG23 HD13 ' A' ' 19' ' ' LEU . 87.7 mt -67.71 -42.53 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.805 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.187 176.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -33.91 76.45 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 123.725 0.81 . . . . 0.0 110.551 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.97 -55.29 36.78 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.52 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -69.74 -27.42 64.94 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.366 0.603 . . . . 0.0 110.053 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.8 mmt -83.24 -0.37 49.16 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.074 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.8 t -80.47 -15.8 55.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.4 t -70.26 -23.99 62.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -104.06 -36.15 7.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.549 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 79.13 72.6 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 126.098 1.759 . . . . 0.0 109.714 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.4 mm -101.36 130.85 50.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.756 -1.565 . . . . 0.0 108.793 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.22 162.17 25.88 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.738 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 48' ' ' MET . 13.2 t -62.02 -25.69 67.8 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 120.802 0.334 . . . . 0.0 110.821 -176.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.75 -49.11 77.66 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.4 0.68 . . . . 0.0 110.157 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -79.08 -29.54 43.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.361 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.515 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 0.5 OUTLIER -61.36 -39.84 92.09 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.105 177.276 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.26 -39.88 76.51 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.462 0.705 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.12 -30.74 68.0 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.642 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -71.1 -35.79 71.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.08 -39.48 92.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.905 0.384 . . . . 0.0 110.985 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 38.0 tt0 -63.34 -45.9 89.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.511 175.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 44.9 t80 -55.53 -49.96 71.26 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.321 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.7 mt -57.11 -42.4 80.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.374 178.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.63 -40.65 99.04 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.782 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 52.0 mt-10 -65.2 -32.59 74.34 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 120.875 0.369 . . . . 0.0 111.709 178.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 28.2 mm-40 -77.93 -42.33 33.41 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.06 49.4 0.08 OUTLIER Glycine 0 C--N 1.308 -1.005 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.564 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 22.0 t -130.78 130.31 64.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.604 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 43.3 mt-10 -94.64 143.86 26.09 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 173.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.71 119.67 39.95 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 119.454 -0.899 . . . . 0.0 111.363 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 30' ' ' THR . 9.4 pt -93.32 174.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 45.9 t -79.04 -82.01 0.1 Allowed 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.474 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 161.97 -35.42 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 104.254 -2.499 . . . . 0.0 104.254 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -72.79 -0.12 12.45 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.002 -1.453 . . . . 0.0 108.785 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -146.46 151.36 37.27 Favored 'General case' 0 N--CA 1.418 -2.062 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.92 138.36 0.12 Allowed 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -150.56 72.61 1.1 Allowed 'General case' 0 N--CA 1.403 -2.811 0 CA-C-O 122.906 1.336 . . . . 0.0 111.162 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.69 -31.08 0.74 Allowed 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 113.767 -1.56 . . . . 0.0 108.817 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -107.94 2.73 23.52 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 121.407 0.622 . . . . 0.0 111.177 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.84 -29.93 69.19 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -86.34 -6.56 58.92 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.587 0.708 . . . . 0.0 110.662 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -99.09 104.96 17.01 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -97.52 -57.59 2.21 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 . . . . . 0 C--N 1.314 -0.956 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 178.581 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.503 0 CA-C-O 120.364 0.126 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' OD2' ' HG2' ' A' ' 3' ' ' LYS . 11.4 t70 178.71 -52.14 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' HG2' ' OD2' ' A' ' 2' ' ' ASP . 41.6 mmtm -139.13 170.79 15.32 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 175.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -64.43 127.13 30.16 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 123.831 0.707 . . . . 0.0 110.508 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 p -107.93 -6.13 16.8 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.039 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -136.46 129.52 31.23 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 62.55 -175.14 0.14 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.9 p -104.26 12.55 33.54 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.668 0.747 . . . . 0.0 111.7 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -126.04 135.11 51.4 Favored 'General case' 0 N--CA 1.419 -2.01 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.575 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -99.19 172.1 7.58 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -170.543 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.434 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 64.6 p -98.88 177.44 5.27 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -60.93 -39.3 88.93 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 122.456 1.122 . . . . 0.0 110.457 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.458 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 57.7 m-20 -64.69 -40.11 94.82 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 112.76 -2.018 . . . . 0.0 112.543 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 19.8 mm-40 -74.87 -35.21 62.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.33 0.586 . . . . 0.0 110.177 -176.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 78.1 t -71.25 -39.93 73.48 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.294 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.332 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 46.6 mtmt -56.46 -47.18 79.71 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.78 -26.19 68.52 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.3 pt20 -70.75 -48.69 53.1 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-O 122.732 1.253 . . . . 0.0 107.995 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' O ' HD11 ' A' ' 29' ' ' LEU . 49.4 mt -67.25 -41.78 85.02 Favored 'General case' 0 N--CA 1.407 -2.582 0 CA-C-N 112.899 -1.955 . . . . 0.0 111.964 -177.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 21.1 m -57.86 -53.13 61.73 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 124.007 0.817 . . . . 0.0 110.432 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.0 tt0 -64.06 -40.2 95.76 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 123.667 0.605 . . . . 0.0 111.074 -174.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 59.4 m -62.54 -43.95 97.54 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.305 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.76 -35.25 89.44 Favored Glycine 0 C--O 1.211 -1.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.813 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 20' ' ' THR . 25.7 mmmt -63.05 -36.4 83.45 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 124.033 0.49 . . . . 0.0 111.337 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.6 mtpp -75.45 -40.94 56.88 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 121.499 0.666 . . . . 0.0 110.902 -178.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 22' ' ' SER . 91.7 mtt180 -80.17 -50.46 10.25 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 122.307 1.051 . . . . 0.0 111.004 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.1 1.12 30.0 Favored Glycine 0 N--CA 1.419 -2.461 0 CA-C-N 113.496 -1.684 . . . . 0.0 109.264 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.419 HG21 HG23 ' A' ' 63' ' ' ILE . 7.6 p -162.25 155.3 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 CA-C-O 120.697 0.284 . . . . 0.0 110.996 -174.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 19' ' ' LEU . 50.2 mt -142.06 147.97 37.67 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.497 1.119 . . . . 0.0 109.009 175.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.458 HG22 HG13 ' A' ' 63' ' ' ILE . 43.5 p -79.25 151.36 31.21 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 171.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -64.73 -37.82 88.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.587 0.708 . . . . 0.0 109.848 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.77 -27.46 55.31 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -172.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.44 -30.65 64.78 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.473 ' O ' ' HG2' ' A' ' 38' ' ' MET . 92.3 mt -67.89 -41.38 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.803 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.0 84.08 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 124.138 0.975 . . . . 0.0 110.247 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.67 -44.2 93.68 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.023 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mmt-85 -69.46 -31.28 69.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 122.164 -0.335 . . . . 0.0 111.032 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -82.81 1.28 39.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.465 -176.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -74.5 -11.89 60.34 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.05 0.452 . . . . 0.0 111.202 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.0 p -80.14 -27.43 39.08 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.819 0.819 . . . . 0.0 109.473 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -98.54 -168.12 1.6 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.669 -1.151 . . . . 0.0 107.936 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -124.66 81.4 1.94 Allowed 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.473 HG22 ' HG2' ' A' ' 48' ' ' MET . 32.1 mm -107.02 116.87 51.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.81 0.814 . . . . 0.0 111.087 -173.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -78.41 161.56 27.06 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.205 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.7 m -57.2 -32.43 66.47 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 123.583 0.753 . . . . 0.0 112.696 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.89 -41.94 86.35 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.239 0.542 . . . . 0.0 109.936 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -67.23 -39.63 86.24 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.039 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.473 ' HG2' HG22 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -64.47 -43.62 93.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.473 177.211 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.17 -44.75 79.64 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.102 0.561 . . . . 0.0 110.796 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -61.08 -38.34 85.9 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.549 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -69.92 -39.92 75.86 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.759 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -61.18 -44.56 97.11 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 121.132 0.491 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.91 -40.05 91.12 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.07 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.502 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 38.9 t80 -56.75 -49.63 74.67 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.165 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.505 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.0 mt -57.72 -45.67 85.44 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.48 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.7 -42.4 91.12 Favored Glycine 0 CA--C 1.507 -0.439 0 CA-C-N 114.308 -1.314 . . . . 0.0 111.261 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -64.88 -34.48 78.48 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 75.2 mm-40 -79.85 -38.92 31.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.402 -178.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.87 40.35 0.1 OUTLIER Glycine 0 C--N 1.301 -1.383 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.17 172.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.505 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 41.8 t -126.49 127.27 70.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -90.24 166.08 13.55 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 58.3 mt -125.07 115.75 21.0 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.134 0.492 . . . . 0.0 111.832 -174.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 30' ' ' THR . 16.0 pt -101.46 176.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.628 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . 7.7 t -79.22 -75.23 0.25 Allowed 'General case' 0 N--CA 1.425 -1.692 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.879 -175.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' HA ' HG21 ' A' ' 30' ' ' THR . 1.1 tm-20 163.17 -19.28 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.719 2.008 . . . . 0.0 107.407 -176.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -83.59 -11.72 56.97 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 122.498 1.142 . . . . 0.0 109.685 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.628 ' OE2' ' HB3' ' A' ' 64' ' ' SER . 0.8 OUTLIER -129.14 163.43 25.52 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 113.657 -1.611 . . . . 0.0 107.732 179.478 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.564 ' HG2' ' H ' ' A' ' 69' ' ' THR . 7.6 tt0 163.78 -162.1 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 102.534 -3.136 . . . . 0.0 102.534 176.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.564 ' H ' ' HG2' ' A' ' 68' ' ' GLU . 21.2 p -99.14 20.84 12.71 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 122.06 0.933 . . . . 0.0 108.952 175.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.424 ' HG3' ' HB3' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -62.8 -17.73 61.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -175.518 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -88.5 -14.03 38.78 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 122.489 1.138 . . . . 0.0 109.545 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.5 mt -93.74 -15.05 25.6 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 113.974 -1.467 . . . . 0.0 109.064 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -76.41 121.32 22.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.122 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -134.37 90.59 2.69 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -170.14 154.78 5.14 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.6 m170 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 124.315 1.046 . . . . 0.0 110.009 -177.43 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.633 ' HA ' ' OE1' ' A' ' 4' ' ' GLN . . . . . . . . 0 C--O 1.239 0.541 0 CA-C-O 120.942 0.401 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -135.96 -32.78 0.87 Allowed 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.153 0.502 . . . . 0.0 110.842 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -86.93 -8.08 57.58 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.74 0.781 . . . . 0.0 110.252 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.633 ' OE1' ' HA ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -133.16 134.39 44.09 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.896 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 p -131.59 -174.9 3.54 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -79.61 -4.91 53.7 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.886 0.851 . . . . 0.0 109.627 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -97.5 16.11 21.24 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.136 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -132.98 147.2 52.28 Favored 'General case' 0 N--CA 1.408 -2.531 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.02 111.31 20.17 Favored 'General case' 0 C--N 1.28 -2.416 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 167.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.662 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -89.42 -174.94 4.56 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.894 -169.698 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.65 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 14.6 p -100.93 172.54 6.97 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -62.39 -36.32 81.96 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.217 1.008 . . . . 0.0 110.618 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.85 -40.62 95.45 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.659 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.65 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 60.3 mm-40 -71.73 -37.44 70.61 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -174.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 65.8 t -72.82 -37.28 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 CA-C-N 114.66 -1.154 . . . . 0.0 108.961 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -55.47 -49.58 72.11 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.167 172.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.73 -27.31 69.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.3 pt20 -71.54 -49.78 37.46 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.469 HD13 HG23 ' A' ' 34' ' ' ILE . 24.9 mt -67.48 -39.84 85.25 Favored 'General case' 0 N--CA 1.408 -2.529 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.555 -178.129 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.477 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 18.3 m -57.95 -51.95 67.51 Favored 'General case' 0 C--N 1.315 -0.922 0 O-C-N 123.723 0.64 . . . . 0.0 109.734 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 35.1 tt0 -63.32 -40.92 98.66 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.473 0.654 . . . . 0.0 110.592 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 m -64.13 -41.34 97.25 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.161 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.52 -34.87 85.5 Favored Glycine 0 C--O 1.199 -2.087 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 20' ' ' THR . 28.4 mmmt -66.58 -29.23 69.24 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 29.2 mtpp -75.69 -37.93 59.08 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.431 0.634 . . . . 0.0 110.514 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -86.98 -47.17 9.18 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 114.975 -1.011 . . . . 0.0 113.046 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.49 -0.05 46.51 Favored Glycine 0 N--CA 1.422 -2.267 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -172.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.1 p -157.54 159.23 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 0 CA-C-N 115.291 -0.455 . . . . 0.0 111.004 -172.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 59.7 mt -153.4 139.24 18.04 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 125.071 1.348 . . . . 0.0 107.982 174.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.659 HG22 HG13 ' A' ' 63' ' ' ILE . 48.1 p -79.77 147.29 31.91 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -55.3 -41.65 72.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -85.62 -11.94 52.67 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -172.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.2 pt-20 -80.49 -27.91 37.66 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.469 HG23 HD13 ' A' ' 19' ' ' LEU . 84.6 mt -69.09 -41.94 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 CA-C-N 114.036 -1.438 . . . . 0.0 108.255 175.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.75 -31.16 70.89 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 124.417 1.087 . . . . 0.0 110.617 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.63 -50.53 72.2 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 124.306 1.043 . . . . 0.0 109.243 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -68.34 -32.31 72.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.865 0.84 . . . . 0.0 108.79 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 22.6 mmt -81.67 1.24 35.06 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.63 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.1 m -76.39 -16.1 59.79 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -68.98 -33.98 74.56 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' HB2' HG12 ' A' ' 43' ' ' ILE . 38.3 m-85 -98.39 -19.52 17.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.537 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 57.47 62.51 2.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.489 1.137 . . . . 0.0 110.061 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.55 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 39.5 mm -72.47 140.09 18.57 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.135 -175.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -73.05 156.13 39.08 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.037 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.7 t -58.6 -31.39 68.01 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.054 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.91 -57.15 14.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.301 1.04 . . . . 0.0 109.857 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.55 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 43.3 mt-30 -67.22 -33.06 74.57 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.854 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.579 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.4 mmt -64.41 -47.87 77.54 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.21 -43.59 87.74 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.772 0.829 . . . . 0.0 110.421 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -55.9 -46.95 78.23 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.996 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 55' ' ' LEU . 21.2 t80 -69.24 -34.81 75.39 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.722 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -62.47 -43.53 98.6 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.887 0.375 . . . . 0.0 111.12 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.4 tp10 -64.11 -40.28 95.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 51.9 t80 -58.94 -51.44 70.05 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.398 177.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 80.9 mt -58.16 -42.62 86.37 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.147 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.52 -42.48 95.97 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.552 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 46.2 mt-10 -66.03 -30.5 71.05 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 26.9 mm-40 -75.75 -47.3 26.53 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.47 54.52 0.06 OUTLIER Glycine 0 C--N 1.301 -1.396 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.431 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.9 t -139.51 126.01 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -176.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -96.54 128.69 43.72 Favored 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mm? -92.08 103.76 16.22 Favored 'General case' 0 C--N 1.266 -3.061 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.125 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.659 HG13 HG22 ' A' ' 30' ' ' THR . 31.0 pt -87.86 165.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-O 121.544 0.688 . . . . 0.0 111.853 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 t -98.0 18.9 14.93 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.495 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 74.89 -33.7 0.25 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.228 1.011 . . . . 0.0 112.991 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -74.93 -27.6 60.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.082 0.944 . . . . 0.0 110.811 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -97.11 -170.94 2.11 Favored 'General case' 0 C--N 1.27 -2.887 0 CA-C-N 114.496 -1.229 . . . . 0.0 111.015 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 74.53 166.25 0.29 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.933 1.693 . . . . 0.0 111.344 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.7 p -87.15 1.62 52.45 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.573 0.701 . . . . 0.0 111.928 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.16 8.21 5.21 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -69.05 -26.49 65.0 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 122.624 1.202 . . . . 0.0 109.02 174.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.9 mt -91.28 3.65 54.32 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 113.282 -1.781 . . . . 0.0 110.041 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -128.89 -178.11 4.48 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.437 -176.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -138.36 130.35 28.38 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -132.63 119.81 20.93 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 . . . . . 0 C--N 1.286 -2.177 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -177.617 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.926 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.432 ' OD1' ' HG2' ' A' ' 3' ' ' LYS . 18.3 t70 -106.81 -155.75 0.56 Allowed 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.432 ' HG2' ' OD1' ' A' ' 2' ' ' ASP . 16.3 ptpt -85.47 4.06 37.44 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.906 0.86 . . . . 0.0 110.053 -178.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.418 ' HB2' ' HG3' ' A' ' 14' ' ' GLN . 79.1 mt-30 -86.41 17.07 3.98 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.731 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.9 p -87.45 12.83 11.26 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 122.276 1.036 . . . . 0.0 111.251 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -106.19 -176.23 3.02 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -80.81 90.06 5.84 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.2 m -149.17 153.98 38.48 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.75 117.91 5.97 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.566 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -105.04 177.32 4.88 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.777 -171.759 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.522 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 76.1 p -101.17 176.28 5.31 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.339 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.494 ' HE1' HD13 ' A' ' 43' ' ' ILE . 49.5 t80 -61.9 -39.5 92.19 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 122.561 1.172 . . . . 0.0 110.768 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 4.1 m-20 -65.34 -36.58 84.47 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.04 -1.891 . . . . 0.0 112.801 175.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.522 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 26.6 mm-40 -75.18 -35.72 61.54 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-O 121.152 0.501 . . . . 0.0 110.304 -177.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 10' ' ' LEU . 47.9 t -71.07 -39.51 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.519 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 41.9 mtmt -55.09 -52.11 64.26 Favored 'General case' 0 N--CA 1.42 -1.952 0 O-C-N 123.804 0.69 . . . . 0.0 109.449 171.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 13' ' ' ASP . 45.2 mt-10 -62.67 -26.08 68.47 Favored 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -69.05 -57.07 5.92 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 29' ' ' LEU . 20.3 mt -63.78 -37.68 88.27 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 113.265 -1.789 . . . . 0.0 111.603 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.5 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 12.2 m -60.76 -51.33 69.78 Favored 'General case' 0 N--CA 1.423 -1.785 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.323 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 11.8 tp10 -59.7 -46.02 90.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.499 0.666 . . . . 0.0 110.179 -175.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 m -66.35 -45.33 80.57 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.828 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.13 91.62 Favored Glycine 0 C--O 1.205 -1.684 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 26.1 mmmt -63.91 -34.02 77.01 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.098 -0.551 . . . . 0.0 111.867 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 57.9 mtpt -76.73 -40.71 47.71 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.664 0.745 . . . . 0.0 110.175 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -75.89 -48.41 21.46 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.132 -176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.24 -0.68 47.1 Favored Glycine 0 N--CA 1.42 -2.381 0 CA-C-N 113.165 -1.834 . . . . 0.0 108.588 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.4 HG22 HG12 ' A' ' 63' ' ' ILE . 7.7 p -158.79 158.52 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.185 0 CA-C-N 115.34 -0.43 . . . . 0.0 110.833 -172.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.439 HD11 ' O ' ' A' ' 19' ' ' LEU . 46.7 mt -148.57 136.97 21.25 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 124.62 1.168 . . . . 0.0 108.77 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.49 HG22 HG13 ' A' ' 63' ' ' ILE . 27.4 p -75.68 140.19 42.36 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 118.18 0.446 . . . . 0.0 110.874 173.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -50.02 -39.95 43.17 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.2 -29.88 60.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.069 -0.652 . . . . 0.0 112.542 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.6 pt-20 -75.71 -28.98 58.81 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 119.186 -1.006 . . . . 0.0 108.297 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.463 HD11 HD12 ' A' ' 62' ' ' LEU . 71.8 mt -65.31 -44.16 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.734 175.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.91 69.28 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 123.821 0.848 . . . . 0.0 110.939 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.57 -54.29 47.24 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 124.422 1.089 . . . . 0.0 111.349 -173.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -70.0 -25.99 63.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.615 0.721 . . . . 0.0 109.399 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.526 ' SD ' HD11 ' A' ' 43' ' ' ILE . 22.5 mmt -85.06 -6.57 59.31 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.852 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.7 m -67.64 -14.04 62.6 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.8 t -75.63 -33.18 60.49 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -89.23 -43.64 10.84 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.647 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 62.29 78.81 0.28 Allowed 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.826 1.298 . . . . 0.0 108.544 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.526 HD11 ' SD ' ' A' ' 38' ' ' MET . 29.7 mt -86.42 155.79 3.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 113.435 -1.712 . . . . 0.0 110.446 -171.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.08 155.54 39.35 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 173.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -61.05 -30.32 70.25 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.296 0.569 . . . . 0.0 109.63 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.62 -54.69 34.05 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 124.628 1.171 . . . . 0.0 110.934 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 5.3 mt-30 -70.62 -31.08 67.91 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.837 -176.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.537 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 1.0 OUTLIER -62.61 -50.6 70.63 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.657 179.419 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -64.71 -38.11 89.86 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.594 0.559 . . . . 0.0 109.925 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.97 -43.39 91.36 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 115.338 -0.847 . . . . 0.0 108.864 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -69.79 -38.7 76.77 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.828 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.58 -44.36 97.17 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.238 0.542 . . . . 0.0 110.734 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.12 -40.01 93.9 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.526 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.544 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 43.0 t80 -58.76 -51.14 71.25 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.26 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.7 mt -57.24 -41.72 80.09 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.047 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.63 -40.12 97.48 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.589 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.98 -35.69 81.99 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 26.1 mm-40 -76.25 -48.42 20.32 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -175.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.06 44.08 0.05 OUTLIER Glycine 0 C--N 1.305 -1.161 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.624 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.9 t -129.71 131.68 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -93.81 138.46 31.95 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.463 HD12 HD11 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -99.74 110.24 22.64 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.598 178.154 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.49 HG13 HG22 ' A' ' 30' ' ' THR . 12.2 pt -93.06 166.31 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.427 0 CA-C-O 122.625 1.203 . . . . 0.0 113.864 -178.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.457 ' HB2' ' OE2' ' A' ' 67' ' ' GLU . 2.4 m -98.49 26.58 5.39 Favored 'General case' 0 N--CA 1.403 -2.797 0 CA-C-N 112.615 -2.084 . . . . 0.0 114.765 -175.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 32.7 tt0 71.4 -52.4 0.69 Allowed 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 170.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -65.13 -22.26 66.91 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 122.072 0.939 . . . . 0.0 110.899 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' OE2' ' HB2' ' A' ' 64' ' ' SER . 13.3 pt-20 -99.8 -172.04 2.16 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.547 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 76.38 144.98 0.08 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.824 1.65 . . . . 0.0 112.469 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.2 p -104.46 -15.35 15.4 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -171.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.18 1.34 24.89 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.484 0.659 . . . . 0.0 110.229 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -73.32 -8.04 54.15 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.47 1.129 . . . . 0.0 110.31 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.66 -5.71 46.89 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.587 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -108.94 148.69 30.31 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.434 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -95.36 119.34 33.7 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.407 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -150.93 127.01 10.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.551 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.2 p80 . . . . . 0 C--N 1.286 -2.178 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 170.41 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.969 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.01 119.33 16.04 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -84.66 -67.36 0.8 Allowed 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -166.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.74 -178.03 3.54 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.517 ' OG1' ' HA ' ' A' ' 10' ' ' LEU . 3.0 p -86.73 127.77 34.99 Favored 'General case' 0 N--CA 1.424 -1.747 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.351 -177.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -65.31 -24.51 67.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.089 1.356 . . . . 0.0 112.018 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.445 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 1.5 pm0 -70.74 4.52 2.45 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 m 71.31 3.61 4.73 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 124.906 1.282 . . . . 0.0 113.24 174.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -114.13 109.09 17.87 Favored 'General case' 0 C--N 1.276 -2.625 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.676 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -94.91 -176.33 3.82 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.182 -169.151 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.507 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 80.8 p -100.38 173.39 6.61 Favored 'General case' 0 N--CA 1.42 -1.975 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -59.83 -37.36 79.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.819 1.295 . . . . 0.0 110.595 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 23.8 t0 -64.16 -41.44 97.16 Favored 'General case' 0 CA--C 1.489 -1.387 0 CA-C-N 112.377 -2.192 . . . . 0.0 111.213 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.507 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 24.1 mm-40 -76.42 -33.7 58.8 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.059 -174.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.574 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.1 t -71.83 -38.99 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.638 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HB2' ' HZ2' ' A' ' 16' ' ' LYS . 8.4 mtmp? -56.73 -46.15 81.49 Favored 'General case' 0 N--CA 1.414 -2.25 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.122 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.65 -27.99 69.61 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.3 pt20 -70.14 -47.78 60.26 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' O ' HD11 ' A' ' 29' ' ' LEU . 59.2 mt -66.57 -44.76 81.4 Favored 'General case' 0 N--CA 1.409 -2.523 0 CA-C-N 113.24 -1.8 . . . . 0.0 111.743 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 19.7 m -57.78 -52.65 64.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.221 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 11.0 tp10 -61.66 -43.36 99.0 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 123.84 0.712 . . . . 0.0 109.888 -174.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 19.8 m -62.65 -47.19 84.79 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.856 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.57 -36.02 92.64 Favored Glycine 0 C--O 1.21 -1.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.333 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 20' ' ' THR . 22.0 mmmt -62.83 -34.41 77.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.435 -0.382 . . . . 0.0 111.188 177.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.8 mtpp -74.86 -42.99 56.86 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.308 0.575 . . . . 0.0 110.356 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 22' ' ' SER . 96.4 mtt180 -78.07 -47.05 19.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 122.522 1.153 . . . . 0.0 111.26 -174.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.12 6.46 45.33 Favored Glycine 0 N--CA 1.424 -2.113 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.985 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG21 HG23 ' A' ' 63' ' ' ILE . 9.0 p -164.74 160.87 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.704 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.492 HD11 ' O ' ' A' ' 19' ' ' LEU . 23.7 mt -148.83 146.72 28.11 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.988 1.315 . . . . 0.0 109.574 176.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 65' ' ' GLU . 54.3 p -80.48 146.06 31.56 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -61.11 -38.63 87.01 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.62 0.724 . . . . 0.0 109.42 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -64.17 -43.06 96.31 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.424 -1.262 . . . . 0.0 113.556 -173.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.97 -27.6 62.88 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.537 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' A' ' 38' ' ' MET . 97.3 mt -67.7 -42.5 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.228 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.223 177.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.89 78.47 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.755 0.788 . . . . 0.0 109.778 177.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.83 -46.95 87.64 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 125.462 1.505 . . . . 0.0 111.304 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 6.3 mmt180 -72.32 -29.72 64.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.172 0.51 . . . . 0.0 111.091 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.6 mmt -83.81 2.8 36.46 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.117 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -78.77 -11.85 60.0 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.7 t -71.42 -37.16 71.49 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 172.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' HB2' HG12 ' A' ' 43' ' ' ILE . 32.4 m-85 -95.46 -172.29 2.6 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.187 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -115.71 34.01 5.17 Favored 'General case' 0 C--N 1.263 -3.171 0 C-N-CA 125.023 1.329 . . . . 0.0 109.59 -174.819 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.592 HG12 ' HB2' ' A' ' 41' ' ' PHE . 30.6 mm -68.43 120.98 16.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.551 -175.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.99 165.63 20.53 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.609 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -59.42 -35.89 74.85 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 123.152 0.581 . . . . 0.0 110.559 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.15 -41.44 92.78 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.747 0.784 . . . . 0.0 110.031 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.424 ' HB2' HG23 ' A' ' 43' ' ' ILE . 61.1 mt-30 -79.42 -29.95 42.13 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.329 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.539 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -65.74 -45.1 83.86 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.307 174.322 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.74 -41.28 70.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.715 0.806 . . . . 0.0 110.714 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.63 -44.88 90.15 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.433 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -69.54 -36.3 76.24 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.476 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -60.99 -44.16 97.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 0.0 111.883 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.84 -37.56 84.71 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.999 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -57.94 -51.09 71.07 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.559 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 82.0 mt -56.64 -43.14 79.99 Favored 'General case' 0 C--O 1.249 1.046 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.683 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.34 93.52 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.451 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.25 -37.86 88.53 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -77.46 -36.24 53.12 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -175.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.04 47.63 0.09 OUTLIER Glycine 0 C--N 1.295 -1.743 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.716 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 50.9 t -133.12 125.43 51.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 40.1 mt-10 -87.35 165.19 15.79 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 123.144 0.278 . . . . 0.0 110.278 174.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.8 mt -121.91 117.68 27.05 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.395 0.617 . . . . 0.0 112.424 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.435 HG13 ' HA ' ' A' ' 30' ' ' THR . 22.5 pt -106.52 175.35 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.59 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.474 ' O ' ' HB ' ' A' ' 30' ' ' THR . 31.5 t -74.69 -81.17 0.07 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.492 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 4.2 tm-20 166.88 -39.11 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 126.471 1.908 . . . . 0.0 106.047 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -76.2 17.23 0.37 Allowed 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.44 177.83 7.64 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 56.57 -168.28 0.11 Allowed 'General case' 0 N--CA 1.425 -1.714 0 O-C-N 124.354 1.034 . . . . 0.0 113.208 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 t -160.61 29.15 0.16 Allowed 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 122.302 1.049 . . . . 0.0 110.718 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -20.32 23.43 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.673 0.749 . . . . 0.0 111.193 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.33 -26.54 68.81 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 122.752 1.263 . . . . 0.0 109.988 173.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -88.88 2.18 54.14 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 113.531 -1.668 . . . . 0.0 111.571 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -98.16 -56.24 2.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -122.76 111.49 16.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.173 0.511 . . . . 0.0 112.337 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -129.92 132.53 46.39 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.6 m80 . . . . . 0 C--N 1.298 -1.665 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -179.642 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.395 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -164.2 -87.48 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.846 0 O-C-N 123.555 0.534 . . . . 0.0 111.728 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -70.09 -56.27 7.32 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.164 0.507 . . . . 0.0 109.805 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.423 ' H ' HD23 ' A' ' 10' ' ' LEU . 42.5 tt0 -93.02 133.5 36.11 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.69 34.8 4.07 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.357 -174.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -84.46 -27.93 27.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -141.71 -178.62 5.74 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 175.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -80.09 -13.68 59.1 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 122.541 1.162 . . . . 0.0 109.439 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -112.53 162.96 15.05 Favored 'General case' 0 C--N 1.266 -3.064 0 CA-C-N 113.653 -1.612 . . . . 0.0 108.869 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.423 HD23 ' H ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -126.95 177.88 6.33 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -177.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 65.2 p -96.4 175.76 6.3 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -64.62 -38.29 90.5 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-O 122.123 0.963 . . . . 0.0 110.857 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.38 -40.34 96.15 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 113.408 -1.724 . . . . 0.0 111.057 174.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 32.1 mm-40 -72.84 -37.67 67.35 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.491 -176.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.634 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 72.6 t -71.72 -41.77 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.322 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -177.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -56.34 -47.3 79.07 Favored 'General case' 0 N--CA 1.424 -1.73 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.821 173.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.88 -29.17 70.56 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 1.6 pt20 -69.93 -48.52 58.19 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.497 ' O ' HD11 ' A' ' 29' ' ' LEU . 43.4 mt -67.02 -41.25 86.96 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-N 113.277 -1.783 . . . . 0.0 111.783 -177.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 21.8 m -57.31 -53.36 58.95 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 124.021 0.826 . . . . 0.0 110.008 178.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.92 -41.5 97.64 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.656 0.741 . . . . 0.0 110.998 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -64.08 -44.57 91.98 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 114.656 -1.157 . . . . 0.0 110.456 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.64 -34.62 89.49 Favored Glycine 0 C--O 1.201 -1.935 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.436 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.9 mmmt -65.22 -34.1 77.58 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.37 -40.3 62.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.468 0.651 . . . . 0.0 110.133 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HE ' ' HG3' ' A' ' 70' ' ' GLU . 78.7 mtp180 -82.19 -54.16 5.49 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 122.696 1.236 . . . . 0.0 111.766 -176.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.41 1.49 29.46 Favored Glycine 0 N--CA 1.416 -2.684 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.129 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG22 HG12 ' A' ' 63' ' ' ILE . 7.4 p -157.1 156.26 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.705 0 CA-C-O 120.568 0.223 . . . . 0.0 111.292 -172.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 61.5 mt -150.27 134.14 16.83 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 124.87 1.268 . . . . 0.0 108.399 174.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.626 HG22 HG13 ' A' ' 63' ' ' ILE . 46.4 p -72.92 144.71 47.23 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 118.105 0.411 . . . . 0.0 110.254 173.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -55.17 -38.83 68.82 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.467 0.651 . . . . 0.0 110.796 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -80.05 -24.07 40.96 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.4 pt-20 -76.32 -27.05 56.38 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 118.391 -1.324 . . . . 0.0 107.778 176.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.435 ' O ' ' HG2' ' A' ' 38' ' ' MET . 96.1 mt -70.48 -40.42 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.617 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -35.74 76.74 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 124.235 1.014 . . . . 0.0 110.613 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.49 -46.8 85.93 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.314 -174.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -72.42 -30.54 64.72 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.437 0.637 . . . . 0.0 109.349 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 22.0 mmt -83.11 -1.66 53.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.002 -177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -75.06 -14.5 60.6 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 120.975 0.417 . . . . 0.0 110.31 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 m -73.36 -27.19 61.35 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.469 ' HB2' HG12 ' A' ' 43' ' ' ILE . 27.2 m-85 -100.32 -159.06 0.71 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.299 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -129.53 39.86 3.67 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.724 0.774 . . . . 0.0 109.307 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.469 HG12 ' HB2' ' A' ' 41' ' ' PHE . 39.6 mm -71.06 121.41 20.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.295 -175.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -75.86 163.13 27.53 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.072 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -66.08 -29.19 69.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.181 -0.304 . . . . 0.0 110.181 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.37 -30.93 67.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.08 0.467 . . . . 0.0 110.319 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.73 -32.55 57.87 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.797 0.808 . . . . 0.0 109.03 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.528 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -66.17 -39.88 90.09 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.532 173.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.27 -44.49 95.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.434 0.693 . . . . 0.0 111.845 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.49 -33.43 75.92 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.884 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -70.33 -37.2 74.63 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.96 -41.45 98.01 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.379 0.609 . . . . 0.0 109.989 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.1 tp10 -62.57 -43.57 98.49 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.92 177.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.06 -50.86 72.46 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.603 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 83.5 mt -57.59 -40.87 79.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.772 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.4 -40.12 98.21 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.715 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 47.4 mt-10 -63.86 -35.18 79.8 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 116.93 0.365 . . . . 0.0 111.814 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 26.6 mm-40 -77.56 -46.52 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.17 55.46 0.07 OUTLIER Glycine 0 C--N 1.3 -1.455 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.942 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 31.3 t -133.23 127.37 54.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -90.07 134.05 34.48 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mm? -98.4 106.75 19.07 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.345 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.626 HG13 HG22 ' A' ' 30' ' ' THR . 15.2 pt -91.0 174.89 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.2 m -99.58 16.37 23.59 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -170.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.556 ' HA ' HG21 ' A' ' 30' ' ' THR . 27.8 tt0 70.6 -47.1 0.64 Allowed 'General case' 0 N--CA 1.522 3.16 0 C-N-CA 124.756 1.222 . . . . 0.0 113.153 176.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -68.08 -17.1 64.29 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 121.739 0.781 . . . . 0.0 109.337 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -118.43 139.78 50.87 Favored 'General case' 0 N--CA 1.401 -2.918 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 170.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 9.6 tp10 -162.06 132.85 5.0 Favored 'General case' 0 C--N 1.26 -3.326 0 O-C-N 123.99 0.806 . . . . 0.0 108.827 -176.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 p -91.34 -28.92 17.41 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.953 0.882 . . . . 0.0 110.548 -174.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' HG2' ' OE2' ' A' ' 68' ' ' GLU . 3.3 mm-40 -87.58 4.38 43.93 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 113.762 -1.563 . . . . 0.0 108.219 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -103.69 -26.13 12.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.356 -1.293 . . . . 0.0 109.085 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 68' ' ' GLU . 95.9 mt -83.37 -52.91 6.13 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 113.455 -1.702 . . . . 0.0 107.865 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -103.54 111.82 24.45 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.481 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 66.74 -171.84 0.19 Allowed 'General case' 0 C--O 1.238 0.495 0 O-C-N 124.072 0.857 . . . . 0.0 111.886 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -152.78 174.2 14.35 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 175.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 . . . . . 0 C--N 1.294 -1.848 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.348 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.479 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 70.06 -28.18 0.17 Allowed 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.746 1.619 . . . . 0.0 114.706 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -77.35 63.06 2.47 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -177.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.403 ' HB3' ' HG3' ' A' ' 14' ' ' GLN . 18.0 pt20 -134.38 150.84 50.93 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 175.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -77.64 -51.21 11.0 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.114 0.483 . . . . 0.0 111.266 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -130.05 179.75 5.69 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.11 -13.92 54.68 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 m -111.19 6.44 20.68 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-O 122.493 1.139 . . . . 0.0 109.818 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -130.06 108.88 10.41 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.13 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -125.84 173.89 8.76 Favored 'General case' 0 N--CA 1.409 -2.518 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -174.599 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.6 p -99.78 175.51 5.77 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -60.84 -39.55 89.5 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 122.358 1.075 . . . . 0.0 110.846 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.4 -39.1 93.21 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 113.299 -1.773 . . . . 0.0 112.049 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CB ' ' HB3' ' A' ' 10' ' ' LEU . 16.5 mm100 -72.02 -37.65 69.74 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.545 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 58.0 t -71.99 -42.31 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.153 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -55.22 -48.06 74.42 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.045 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.65 -31.11 71.2 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 176.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 13.2 pt20 -69.99 -48.4 58.33 Favored 'General case' 0 C--N 1.365 1.276 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.459 ' O ' HD11 ' A' ' 29' ' ' LEU . 20.1 mt -65.64 -40.0 92.04 Favored 'General case' 0 N--CA 1.416 -2.136 0 CA-C-N 113.603 -1.635 . . . . 0.0 111.607 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.436 ' OG1' ' HE2' ' A' ' 54' ' ' PHE . 17.0 m -59.78 -53.0 63.08 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.601 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 36.8 tt0 -64.5 -40.65 96.04 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.737 0.779 . . . . 0.0 110.717 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.8 m -68.55 -38.85 81.15 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.845 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.06 -33.74 87.95 Favored Glycine 0 C--O 1.205 -1.719 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 20' ' ' THR . 23.8 mmmt -65.93 -34.33 77.88 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 124.12 0.541 . . . . 0.0 112.123 176.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.7 mtpp -74.99 -40.24 60.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-O 121.91 0.862 . . . . 0.0 109.341 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.48 HH11 ' HD3' ' A' ' 26' ' ' ARG . 45.7 mtt180 -76.78 -46.89 23.37 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.351 -177.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 13.32 54.5 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 -174.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.557 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 14.7 p -172.1 156.96 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 114.433 -0.883 . . . . 0.0 109.236 -174.093 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.459 HD11 ' O ' ' A' ' 19' ' ' LEU . 34.9 mt -144.17 136.75 26.87 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 122.966 0.507 . . . . 0.0 109.797 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.571 HG22 HG13 ' A' ' 63' ' ' ILE . 37.1 p -76.64 136.41 39.17 Favored 'General case' 0 N--CA 1.425 -1.697 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 172.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -55.54 -38.01 68.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.818 0.447 . . . . 0.0 111.031 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 38.4 mt-10 -74.28 -21.48 59.73 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.301 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.1 -45.14 35.42 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.423 ' O ' ' HG2' ' A' ' 38' ' ' MET . 69.8 mt -58.32 -47.36 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.376 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.22 75.79 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 124.186 0.994 . . . . 0.0 111.609 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 33.7 tt0 -63.33 -43.91 96.41 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.013 -172.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.72 -26.98 63.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.6 mmt -83.47 -3.46 57.61 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.369 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 m -74.75 -8.57 56.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.429 0.633 . . . . 0.0 110.099 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -75.49 -21.0 58.4 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -114.6 -162.93 0.84 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.446 -1.252 . . . . 0.0 107.659 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -129.78 80.38 1.96 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 122.614 1.197 . . . . 0.0 108.221 175.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.9 mm -101.74 117.24 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.998 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.409 -174.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -71.68 155.19 40.77 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 113.715 -1.584 . . . . 0.0 109.339 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.7 m -60.11 -30.37 69.22 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.866 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -69.88 -34.63 73.8 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.143 0.497 . . . . 0.0 110.317 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 57.5 mt-30 -74.94 -29.19 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.707 0.765 . . . . 0.0 109.444 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.503 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -69.85 -40.32 75.87 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.495 173.209 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 22.8 t70 -58.29 -42.78 87.35 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.735 0.814 . . . . 0.0 112.569 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.13 -33.41 75.38 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.44 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -69.73 -36.87 76.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 20.8 m-85 -59.73 -41.61 91.3 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.025 0.44 . . . . 0.0 110.645 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 6.4 tp10 -62.82 -42.9 99.92 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.858 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' HE2' ' OG1' ' A' ' 20' ' ' THR . 35.9 t80 -59.34 -49.41 77.93 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.556 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 75.7 mt -57.02 -44.71 83.12 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.788 178.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.73 -38.8 92.64 Favored Glycine 0 C--O 1.242 0.602 0 CA-C-N 114.299 -1.319 . . . . 0.0 111.569 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 8.4 mm-40 -64.67 -36.24 83.63 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 123.251 0.62 . . . . 0.0 112.34 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -76.14 -35.7 59.1 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.68 33.48 0.48 Allowed Glycine 0 C--N 1.294 -1.781 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.692 176.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.3 t -115.25 126.88 72.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 45.5 mt-10 -95.03 139.87 30.78 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.417 HD12 HD11 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -103.66 123.29 46.72 Favored 'General case' 0 C--N 1.279 -2.469 0 C-N-CA 119.153 -1.019 . . . . 0.0 112.748 -177.357 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.571 HG13 HG22 ' A' ' 30' ' ' THR . 24.9 pt -108.53 179.08 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 174.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.699 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . 8.1 t -78.06 -76.4 0.19 Allowed 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 118.264 0.484 . . . . 0.0 111.73 -176.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 64' ' ' SER . 13.1 tt0 157.24 -13.63 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 127.258 2.223 . . . . 0.0 108.903 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -78.09 -15.92 58.46 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 122.57 1.176 . . . . 0.0 108.354 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.699 ' OE2' ' HB3' ' A' ' 64' ' ' SER . 1.6 pm0 -118.04 153.86 32.98 Favored 'General case' 0 N--CA 1.401 -2.879 0 C-N-CA 126.643 1.977 . . . . 0.0 106.511 173.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -178.34 142.07 0.25 Allowed 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 p -117.89 -6.19 11.01 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -175.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.88 -11.47 44.54 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.613 0.72 . . . . 0.0 109.749 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -124.86 89.23 3.03 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.479 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.5 mt -139.51 -58.27 0.58 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.597 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -90.87 84.38 5.8 Favored 'General case' 0 C--O 1.25 1.101 0 N-CA-C 112.81 0.671 . . . . 0.0 112.81 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.72 106.07 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 108.717 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -79.36 -41.76 27.12 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 . . . . . 0 N--CA 1.428 -1.57 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.034 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.425 0 CA-C-O 120.82 0.343 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -109.41 -165.73 1.04 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -86.32 166.92 15.24 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 124.413 1.085 . . . . 0.0 109.618 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.564 ' HG3' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.43 105.53 17.51 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.6 p -99.74 160.27 14.43 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -174.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.0 m80 74.25 -55.56 0.66 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.631 1.572 . . . . 0.0 111.988 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.2 -176.24 3.61 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -131.07 17.28 5.06 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.933 0.873 . . . . 0.0 109.885 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -104.74 111.33 24.01 Favored 'General case' 0 N--CA 1.419 -1.984 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.564 ' HA ' ' HG3' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -99.59 168.68 9.8 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.251 -172.515 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.597 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 21.0 p -95.83 175.08 6.64 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -177.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -60.8 -38.89 86.89 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-O 122.478 1.132 . . . . 0.0 109.975 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 12.6 m-20 -67.93 -36.37 80.03 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 112.977 -1.92 . . . . 0.0 113.255 174.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.597 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 15.9 mm100 -73.36 -37.22 66.14 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 76.5 t -72.55 -40.4 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.666 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.987 -178.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -56.48 -46.32 80.5 Favored 'General case' 0 N--CA 1.422 -1.86 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 13' ' ' ASP . 50.4 mt-10 -63.16 -28.02 69.77 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.8 pt20 -71.76 -50.66 28.05 Favored 'General case' 0 C--N 1.372 1.553 0 CA-C-O 122.184 0.992 . . . . 0.0 108.395 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' O ' HD11 ' A' ' 29' ' ' LEU . 52.3 mt -66.04 -40.54 91.09 Favored 'General case' 0 N--CA 1.41 -2.457 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.547 -176.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.7 m -58.49 -50.11 74.93 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.207 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -62.67 -43.54 98.54 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.004 0.907 . . . . 0.0 108.814 -175.322 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 m -65.87 -44.64 84.81 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.072 -1.422 . . . . 0.0 111.341 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.47 -34.49 90.1 Favored Glycine 0 C--O 1.207 -1.563 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -67.75 -29.34 68.53 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.434 -0.883 . . . . 0.0 113.307 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.9 mtpp -74.16 -43.72 56.3 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.613 0.72 . . . . 0.0 110.035 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -85.75 -51.92 6.12 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.949 -173.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.18 14.11 19.48 Favored Glycine 0 N--CA 1.426 -1.991 0 CA-C-N 113.657 -1.61 . . . . 0.0 109.586 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 7.1 p -168.63 155.66 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 115.505 -0.347 . . . . 0.0 110.514 -175.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 53.2 mt -148.44 138.63 22.52 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 124.746 1.218 . . . . 0.0 108.427 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.591 HG22 HG13 ' A' ' 63' ' ' ILE . 39.7 p -75.02 141.99 43.85 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 118.108 0.413 . . . . 0.0 110.405 173.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -55.38 -43.11 74.85 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.145 0.497 . . . . 0.0 110.288 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.06 -33.9 76.51 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.994 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.5 pt-20 -74.05 -28.64 61.5 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 118.533 -1.267 . . . . 0.0 108.957 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 38' ' ' MET . 88.4 mt -68.57 -43.79 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.979 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.768 175.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.93 85.67 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 124.366 1.067 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -59.8 -49.58 77.14 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.376 1.07 . . . . 0.0 111.683 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -67.97 -31.73 71.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.477 0.656 . . . . 0.0 110.166 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.3 mmt -81.43 -4.98 57.4 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.136 -177.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.1 m -73.05 -16.64 61.48 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.845 0.355 . . . . 0.0 110.44 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 m -75.56 -29.11 59.26 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.452 ' HB2' HG12 ' A' ' 43' ' ' ILE . 35.4 m-85 -95.25 -21.15 18.63 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.688 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 66.48 68.57 0.43 Allowed 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 124.543 1.152 . . . . 0.0 108.986 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.452 HG12 ' HB2' ' A' ' 41' ' ' PHE . 33.3 mm -95.48 119.94 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.161 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.933 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -65.13 149.75 49.35 Favored 'General case' 0 C--N 1.277 -2.549 0 CA-C-N 114.067 -1.424 . . . . 0.0 110.561 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 48' ' ' MET . 38.4 m -55.16 -31.1 61.08 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 124.013 0.925 . . . . 0.0 110.295 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.31 -48.04 77.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.771 1.228 . . . . 0.0 109.729 176.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -81.47 -27.16 34.73 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.679 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -60.34 -40.49 90.88 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.413 176.32 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.53 -42.3 78.23 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.185 0.594 . . . . 0.0 109.93 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.93 -43.24 91.14 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.422 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.33 -35.89 73.91 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.153 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.0 -44.32 97.6 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.0 0.428 . . . . 0.0 111.11 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.89 -36.2 81.73 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.173 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -59.17 -49.52 77.54 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 98.4 mt -58.52 -36.59 74.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.395 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.29 98.82 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.016 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -64.65 -33.57 76.24 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 120.948 0.404 . . . . 0.0 111.56 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -77.47 -38.77 48.5 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.63 51.98 0.2 Allowed Glycine 0 C--N 1.304 -1.241 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.314 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.1 t -132.7 124.97 51.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 42.7 mt-10 -89.86 139.53 30.5 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 174.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -101.06 117.58 35.31 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.674 -178.384 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.591 HG13 HG22 ' A' ' 30' ' ' THR . 16.4 pt -95.99 165.18 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.317 0 CA-C-O 122.313 1.054 . . . . 0.0 113.579 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.2 m -82.78 5.26 22.11 Favored 'General case' 0 C--N 1.273 -2.722 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 -172.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HA ' HG21 ' A' ' 30' ' ' THR . 12.6 tm-20 73.91 -38.9 0.41 Allowed 'General case' 0 N--CA 1.52 3.048 0 CA-C-N 119.012 0.824 . . . . 0.0 112.937 174.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -71.27 -10.65 60.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.115 0.96 . . . . 0.0 108.937 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -123.23 151.0 42.72 Favored 'General case' 0 N--CA 1.406 -2.665 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 175.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HG3' ' H ' ' A' ' 71' ' ' ASP . 8.7 tp10 -152.76 149.81 28.73 Favored 'General case' 0 C--N 1.271 -2.816 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.6 p -108.47 -16.68 14.16 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 119.587 -0.845 . . . . 0.0 113.024 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.86 -20.92 25.36 Favored 'General case' 0 C--N 1.274 -2.714 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 27.9 t70 -100.41 72.39 1.6 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -178.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.7 mt -136.61 18.5 3.09 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 113.61 -1.632 . . . . 0.0 108.152 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -87.73 141.97 28.19 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.164 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -90.13 96.92 10.9 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -84.99 -59.8 2.23 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 28.1 p80 . . . . . 0 C--N 1.305 -1.368 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.921 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 24.4 t70 64.89 -88.37 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.712 -174.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' A' ' 3' ' ' LYS . 5.3 mmpt? -175.93 154.84 1.54 Allowed 'General case' 0 CA--C 1.503 -0.832 0 C-N-CA 126.782 2.033 . . . . 0.0 105.99 174.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 10' ' ' LEU . 6.4 tp-100 -81.26 148.12 29.61 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 169.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -46.82 6.29 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.709 1.204 . . . . 0.0 113.742 -170.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -155.41 -72.36 0.11 Allowed 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.51 -1.292 . . . . 0.0 107.51 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -162.26 97.66 1.01 Allowed 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -143.4 175.87 9.59 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 103.628 -2.731 . . . . 0.0 103.628 -175.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -61.03 139.68 58.01 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 172.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -119.64 178.11 4.69 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.282 -168.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.542 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 47.0 p -97.95 177.51 5.41 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -62.07 -39.85 93.8 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 122.635 1.207 . . . . 0.0 110.551 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.49 -40.32 95.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 112.702 -2.044 . . . . 0.0 110.591 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.55 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 9.8 mm-40 -74.73 -36.87 62.65 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.265 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.7 t -69.8 -38.29 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.511 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -177.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -56.36 -41.46 76.2 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.461 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.65 -33.44 75.93 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.6 pt20 -70.46 -46.96 62.79 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-O 122.114 0.959 . . . . 0.0 108.883 -174.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' HD11 ' A' ' 29' ' ' LEU . 42.8 mt -66.38 -38.39 87.43 Favored 'General case' 0 N--CA 1.408 -2.531 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 15.7 m -59.09 -52.36 66.06 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.587 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.81 -45.39 94.62 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.933 0.873 . . . . 0.0 110.086 -174.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.1 m -64.56 -46.25 83.59 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.408 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.76 -36.77 93.51 Favored Glycine 0 C--O 1.205 -1.716 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.758 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.3 mmmt -63.7 -36.24 83.19 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.955 0.502 . . . . 0.0 111.756 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.09 -40.43 65.01 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-O 121.265 0.555 . . . . 0.0 110.298 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -81.59 -51.85 7.8 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.956 0.884 . . . . 0.0 112.051 -175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.57 -4.16 27.84 Favored Glycine 0 N--CA 1.425 -2.065 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.098 -173.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -155.38 153.38 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.963 0 CA-C-O 121.19 0.519 . . . . 0.0 111.336 -172.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD11 ' O ' ' A' ' 19' ' ' LEU . 73.8 mt -141.38 144.73 34.67 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.168 174.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.574 HG22 HG13 ' A' ' 63' ' ' ILE . 41.5 p -84.03 150.44 25.6 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -63.15 -35.04 78.95 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 122.292 -0.255 . . . . 0.0 111.547 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -72.97 -29.67 63.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 119.835 -0.746 . . . . 0.0 112.594 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.8 pt-20 -75.61 -30.32 59.52 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.441 -0.903 . . . . 0.0 108.714 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.429 ' O ' ' HG2' ' A' ' 38' ' ' MET . 84.8 mt -69.74 -40.73 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.078 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.37 80.67 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.065 0.946 . . . . 0.0 110.13 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.02 -52.08 67.0 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.179 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -70.95 -29.33 65.31 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.3 mmt -83.58 -0.22 49.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.595 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 t -74.2 -17.23 60.93 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.338 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 p -73.06 -27.66 61.87 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 174.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -103.99 -172.03 2.04 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.42 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -125.04 93.27 3.84 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 172.033 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.8 mm -109.82 122.29 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.994 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.855 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -76.79 164.4 25.87 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.562 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -62.81 -29.46 70.74 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 123.324 0.65 . . . . 0.0 110.041 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.57 -54.19 48.4 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.143 0.973 . . . . 0.0 108.689 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -64.76 -38.78 92.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.618 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.6 OUTLIER -58.17 -46.41 85.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.275 179.067 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.38 -40.53 94.69 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.108 0.48 . . . . 0.0 110.513 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -60.33 -41.33 93.3 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.419 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -68.82 -38.86 80.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.9 -41.54 98.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.317 0.58 . . . . 0.0 110.415 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.18 -44.24 95.97 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.102 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 45.0 t80 -56.48 -52.24 65.44 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.444 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 89.1 mt -57.24 -43.88 83.32 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.771 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.36 -40.57 94.32 Favored Glycine 0 N--CA 1.453 -0.218 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.68 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.17 -33.1 74.99 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 67.0 mm-40 -79.09 -43.54 23.92 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.53 49.33 0.06 OUTLIER Glycine 0 CA--C 1.484 -1.897 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.883 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.7 t -133.29 122.26 44.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -88.7 136.74 32.84 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.44 106.68 18.27 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.453 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.574 HG13 HG22 ' A' ' 30' ' ' THR . 32.1 pt -93.3 175.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.646 177.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.473 ' O ' ' HB ' ' A' ' 30' ' ' THR . 38.1 t -70.46 -81.97 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.464 0.649 . . . . 0.0 112.076 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 156.78 -22.05 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 129.329 3.052 . . . . 0.0 103.737 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.83 -20.24 55.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 113.165 -1.834 . . . . 0.0 109.043 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -128.51 156.88 42.58 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.95 158.5 8.74 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 104.189 -2.523 . . . . 0.0 104.189 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 t -149.46 19.22 0.94 Allowed 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -120.46 -4.69 9.85 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.18 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -84.52 -18.46 35.67 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 122.869 1.319 . . . . 0.0 107.912 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -86.65 20.14 2.63 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 113.093 -1.867 . . . . 0.0 111.245 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -70.71 108.52 4.45 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -80.19 88.57 5.46 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.455 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -125.13 -42.12 2.03 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 . . . . . 0 N--CA 1.436 -1.134 0 N-CA-C 103.875 -2.639 . . . . 0.0 103.875 174.367 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.993 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -168.66 -39.15 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.414 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 66.48 18.86 10.89 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.751 1.22 . . . . 0.0 110.927 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.706 ' HG2' ' O ' ' A' ' 9' ' ' GLU . 12.2 tp60 66.65 82.65 0.18 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 126.267 1.827 . . . . 0.0 110.906 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.2 p -78.73 -32.53 46.84 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.21 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -115.39 140.43 49.14 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 80.72 126.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.507 1.523 . . . . 0.0 110.396 -173.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.9 m -92.56 66.33 4.52 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-O 122.587 1.184 . . . . 0.0 110.94 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.706 ' O ' ' HG2' ' A' ' 4' ' ' GLN . 10.3 pt-20 -175.02 146.6 0.88 Allowed 'General case' 0 CA--C 1.471 -2.082 0 N-CA-C 103.458 -2.793 . . . . 0.0 103.458 175.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -109.37 168.3 9.49 Favored 'General case' 0 C--N 1.273 -2.725 0 C-N-CA 118.003 -1.479 . . . . 0.0 108.167 -179.592 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.2 p -98.57 176.02 5.8 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -61.78 -38.53 88.39 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 122.739 1.257 . . . . 0.0 110.171 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.1 -42.37 99.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 112.679 -2.055 . . . . 0.0 111.127 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 22.0 mm-40 -72.5 -39.87 67.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.149 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.6 t -70.6 -39.76 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -55.06 -45.69 75.34 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.628 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.08 -28.22 69.64 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 13.5 pt20 -68.65 -47.78 65.69 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD13 HG23 ' A' ' 34' ' ' ILE . 32.3 mt -67.26 -42.3 84.13 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-N 113.324 -1.762 . . . . 0.0 112.519 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 m -58.02 -51.43 69.68 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.921 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 32.4 tt0 -63.32 -42.34 98.98 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.602 0.715 . . . . 0.0 110.896 -177.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -66.07 -43.47 87.31 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.819 -176.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.37 91.85 Favored Glycine 0 C--O 1.199 -2.04 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 22.7 mmmt -66.13 -33.93 76.9 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 58.9 mtpt -75.34 -39.8 58.95 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.262 0.553 . . . . 0.0 110.199 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -79.25 -48.8 13.53 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.297 1.046 . . . . 0.0 110.913 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.32 12.04 37.18 Favored Glycine 0 N--CA 1.428 -1.85 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -173.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.0 p -166.2 152.1 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.753 0 CA-C-N 115.342 -0.429 . . . . 0.0 111.266 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 65.5 mt -148.28 132.3 17.22 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 124.799 1.24 . . . . 0.0 107.944 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.661 HG22 HG13 ' A' ' 63' ' ' ILE . 42.3 p -75.72 149.78 37.98 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.972 173.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -53.94 -38.02 64.5 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.784 0.326 . . . . 0.0 111.31 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.42 -33.56 60.94 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.38 -25.39 60.55 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 119.22 -0.992 . . . . 0.0 108.855 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.474 HD11 HD12 ' A' ' 62' ' ' LEU . 95.2 mt -72.37 -43.55 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.798 175.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.55 68.02 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.916 0.886 . . . . 0.0 110.696 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.03 -41.77 97.21 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.115 -173.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -75.42 -29.75 59.84 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.366 0.603 . . . . 0.0 109.75 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.6 mmt -83.62 -1.4 53.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.03 -175.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.2 p -67.95 -22.0 65.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.233 0.54 . . . . 0.0 110.34 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -68.13 -28.07 67.0 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.526 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' HB2' HG12 ' A' ' 43' ' ' ILE . 19.0 m-85 -104.83 -173.92 2.42 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -119.28 81.29 1.69 Allowed 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' A' ' 41' ' ' PHE . 37.1 mm -102.22 122.11 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.941 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.69 162.81 28.78 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 113.841 -1.527 . . . . 0.0 110.452 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 p -67.65 -22.12 65.33 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.641 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -71.28 -48.65 49.53 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -62.4 -41.49 98.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.009 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.509 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.4 mmt -61.39 -43.69 98.44 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.81 178.041 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.5 -36.93 85.31 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.046 0.45 . . . . 0.0 110.256 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -59.86 -43.97 94.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.139 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.77 -35.98 77.75 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.573 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.05 -42.49 98.58 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 118.069 0.395 . . . . 0.0 111.754 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 42.0 tt0 -63.76 -43.23 97.05 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 57.6 t80 -55.42 -51.66 66.14 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.925 0.766 . . . . 0.0 110.293 178.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 92.0 mt -57.76 -43.42 85.44 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.469 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.54 -41.4 98.72 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.619 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 38.7 mm-40 -64.19 -34.26 77.67 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 122.936 0.495 . . . . 0.0 111.633 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 84.2 mm-40 -77.23 -38.38 51.34 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.23 49.06 0.12 Allowed Glycine 0 C--N 1.302 -1.34 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.561 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 22.8 t -130.46 132.48 64.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -92.28 131.18 37.7 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.528 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -95.39 97.9 10.16 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.65 177.531 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.661 HG13 HG22 ' A' ' 30' ' ' THR . 34.8 pt -86.83 168.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.649 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.09 15.39 20.9 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.834 -173.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 75.78 -39.8 0.39 Allowed 'General case' 0 N--CA 1.51 2.535 0 C-N-CA 124.355 1.062 . . . . 0.0 110.647 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -74.49 4.52 5.89 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 124.864 1.266 . . . . 0.0 110.759 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 11.8 pt-20 -140.55 152.85 45.86 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.502 ' OE2' ' HG2' ' A' ' 70' ' ' GLU . 0.8 OUTLIER 156.82 177.54 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 127.576 2.35 . . . . 0.0 106.627 173.661 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.8 p -123.91 -13.53 7.35 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-O 121.217 0.532 . . . . 0.0 111.944 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.502 ' HG2' ' OE2' ' A' ' 68' ' ' GLU . 9.0 pt-20 -72.55 -14.92 61.75 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -85.34 -8.47 58.45 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 122.753 1.263 . . . . 0.0 108.913 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.8 mt -94.62 -29.07 15.04 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.548 175.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.7 -64.27 0.91 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -164.06 133.06 3.77 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -93.99 -179.65 5.04 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.077 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 20.3 p80 . . . . . 0 N--CA 1.437 -1.118 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 177.539 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.501 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -101.87 163.52 12.21 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.027 0.442 . . . . 0.0 110.991 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -83.66 93.11 7.83 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.163 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' HB3' ' HG3' ' A' ' 14' ' ' GLN . 18.3 pt20 60.96 172.32 0.1 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.208 2.203 . . . . 0.0 114.39 176.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -83.26 145.99 28.81 Favored 'General case' 0 N--CA 1.398 -3.062 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 171.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -78.07 -8.3 58.04 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.332 0.587 . . . . 0.0 111.382 -173.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.97 177.79 4.11 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.383 174.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -85.8 64.21 8.48 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 122.313 1.054 . . . . 0.0 110.729 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -165.96 158.37 14.69 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HB2' HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -130.31 -178.02 4.57 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.423 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.575 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 11.1 p -100.53 174.05 6.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.66 -38.42 91.05 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 122.78 1.276 . . . . 0.0 110.418 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -64.73 -35.15 80.13 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 112.293 -2.231 . . . . 0.0 111.616 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 15.4 mm100 -76.58 -38.24 55.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.572 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.2 t -71.35 -37.93 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -56.96 -44.22 82.36 Favored 'General case' 0 N--CA 1.409 -2.493 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.092 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.07 -31.36 71.78 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.9 pt20 -70.42 -48.63 55.12 Favored 'General case' 0 CA--C 1.484 -1.571 0 CA-C-O 122.455 1.121 . . . . 0.0 109.037 -175.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.496 ' O ' HD11 ' A' ' 29' ' ' LEU . 54.1 mt -65.89 -40.04 91.21 Favored 'General case' 0 N--CA 1.401 -2.908 0 CA-C-N 113.226 -1.806 . . . . 0.0 111.076 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -59.29 -51.43 70.0 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 124.094 0.871 . . . . 0.0 110.086 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.32 -44.34 96.72 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 122.183 0.992 . . . . 0.0 110.177 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.9 m -66.14 -46.39 77.64 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.249 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.69 -32.65 84.88 Favored Glycine 0 C--O 1.212 -1.26 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.509 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 27.2 mmmt -64.5 -35.56 81.36 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 178.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.82 -42.1 34.9 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-O 122.021 0.915 . . . . 0.0 110.757 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' A' ' 28' ' ' VAL . 94.2 mtt180 -75.83 -48.3 22.12 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.275 -176.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 4.6 47.68 Favored Glycine 0 N--CA 1.428 -1.852 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.927 -173.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.456 ' O ' ' HD2' ' A' ' 26' ' ' ARG . 8.3 p -162.29 156.97 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.671 0 CA-C-N 115.346 -0.427 . . . . 0.0 110.951 -172.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 19' ' ' LEU . 38.0 mt -148.31 139.73 23.5 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 124.15 0.98 . . . . 0.0 109.369 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.462 ' HA ' HG13 ' A' ' 63' ' ' ILE . 74.6 p -75.68 140.17 42.37 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 118.093 0.406 . . . . 0.0 111.103 175.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -50.83 -37.87 45.49 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.045 0.938 . . . . 0.0 112.789 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -86.57 -24.97 25.24 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.483 -0.887 . . . . 0.0 113.293 -173.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 12.8 pt-20 -73.75 -31.8 63.51 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 118.111 -1.436 . . . . 0.0 107.897 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 38' ' ' MET . 84.6 mt -62.78 -44.35 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.233 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.832 175.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.05 87.32 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 124.11 0.964 . . . . 0.0 110.721 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.69 -47.66 84.77 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.082 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 54.5 mmt-85 -66.17 -32.54 74.05 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.467 ' HG3' ' HE1' ' A' ' 48' ' ' MET . 21.9 mmt -82.27 -5.14 58.34 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.528 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 m -78.48 -5.51 52.76 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.294 0.569 . . . . 0.0 110.002 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 m -73.31 -30.53 63.43 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' HB2' HG12 ' A' ' 43' ' ' ILE . 25.3 m-85 -103.66 -166.48 1.26 Allowed 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 114.02 -1.445 . . . . 0.0 107.641 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.62 64.66 0.74 Allowed 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.43 HG12 ' HB2' ' A' ' 41' ' ' PHE . 30.7 mm -100.96 115.0 41.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-O 121.55 0.691 . . . . 0.0 110.404 -175.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -77.16 168.46 20.02 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.604 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.7 t -61.94 -30.95 71.26 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.494 0.718 . . . . 0.0 109.407 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.9 -47.36 85.26 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 125.059 1.343 . . . . 0.0 109.23 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -77.55 -35.92 52.72 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.099 -1.41 . . . . 0.0 109.932 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.523 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -59.98 -38.09 81.54 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.99 176.548 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.12 -42.02 76.2 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.34 0.656 . . . . 0.0 111.443 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.38 -37.84 88.23 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.669 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 55' ' ' LEU . 25.8 t80 -71.22 -34.67 71.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.637 176.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.76 -39.86 93.11 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 120.901 0.382 . . . . 0.0 110.538 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 8.6 tp10 -63.29 -47.17 83.42 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.228 176.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 46.8 t80 -55.43 -50.34 70.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 O-C-N 123.935 0.772 . . . . 0.0 110.861 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 85.6 mt -58.14 -42.86 86.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.827 178.194 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.51 96.33 Favored Glycine 0 C--O 1.237 0.318 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.208 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 48.6 mt-10 -63.82 -32.93 74.61 Favored 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 122.651 0.38 . . . . 0.0 111.405 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 25.2 mm-40 -78.89 -53.22 7.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.24 49.43 0.03 OUTLIER Glycine 0 C--N 1.302 -1.351 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.5 t -133.83 131.99 56.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 45.5 mt-10 -97.87 140.15 32.66 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 173.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.84 112.49 24.57 Favored 'General case' 0 N--CA 1.408 -2.571 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.035 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' A' ' 30' ' ' THR . 15.3 pt -93.23 168.61 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.462 -2.406 0 CA-C-O 122.152 0.977 . . . . 0.0 111.522 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.47 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 59.1 m -77.36 150.55 35.14 Favored 'General case' 0 N--CA 1.386 -3.658 0 CA-C-N 113.633 -1.621 . . . . 0.0 107.398 173.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -78.82 -13.89 59.56 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.95 0.881 . . . . 0.0 109.697 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -65.15 -20.63 66.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.309 173.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 64' ' ' SER . 11.4 pt-20 -122.2 166.66 14.24 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.69 158.18 1.0 Allowed 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 178.356 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -115.89 -25.31 7.78 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -175.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -91.67 -8.55 46.76 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-O 121.918 0.866 . . . . 0.0 108.742 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -97.03 3.83 51.72 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.677 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.14 -35.9 21.43 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.728 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -112.64 95.33 5.37 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.072 176.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -72.13 109.47 5.94 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.662 -175.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -104.34 56.18 0.72 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 175.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 . . . . . 0 C--N 1.307 -1.256 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 179.634 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.397 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -123.66 -48.8 1.9 Allowed 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 71.69 3.03 4.52 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.896 1.279 . . . . 0.0 112.607 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 70.51 145.87 0.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.068 1.347 . . . . 0.0 112.107 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 p -86.62 88.27 7.62 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 74.85 133.42 0.05 OUTLIER 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.614 1.565 . . . . 0.0 110.045 -177.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -74.3 87.83 2.0 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.992 0.901 . . . . 0.0 110.724 -175.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.1 m -143.29 88.36 2.01 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 114.266 -1.334 . . . . 0.0 107.457 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 57.12 111.07 0.01 OUTLIER 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.407 1.483 . . . . 0.0 113.01 -177.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -118.97 -178.79 3.64 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.082 -170.361 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.494 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 55.2 p -99.43 178.56 4.84 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -64.27 -36.44 84.11 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.684 1.231 . . . . 0.0 110.301 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.62 -40.21 95.07 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 112.906 -1.952 . . . . 0.0 113.013 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.591 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 15.7 mm-40 -75.27 -36.61 61.19 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.496 -176.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.548 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.6 t -71.02 -37.98 69.95 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.719 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -55.14 -47.95 74.37 Favored 'General case' 0 N--CA 1.408 -2.571 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.303 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.31 -26.24 68.4 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.9 pt20 -71.03 -50.18 36.85 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 122.609 1.195 . . . . 0.0 108.609 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD13 HG23 ' A' ' 34' ' ' ILE . 25.6 mt -66.08 -39.53 90.1 Favored 'General case' 0 N--CA 1.414 -2.236 0 CA-C-N 113.248 -1.796 . . . . 0.0 111.791 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 17.0 m -60.03 -50.19 74.7 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.402 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.92 -40.98 99.24 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 123.853 0.721 . . . . 0.0 109.838 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -62.0 -48.21 81.32 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.435 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.13 91.61 Favored Glycine 0 C--O 1.207 -1.553 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.814 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 20' ' ' THR . 29.8 mmmt -63.28 -35.86 81.75 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 122.895 0.478 . . . . 0.0 112.257 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -75.01 -39.13 61.33 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.276 0.56 . . . . 0.0 111.053 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.405 HH12 ' CD ' ' A' ' 33' ' ' GLU . 87.6 mtt180 -84.34 -54.94 4.44 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 122.247 1.022 . . . . 0.0 111.72 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.91 -5.4 18.38 Favored Glycine 0 N--CA 1.426 -1.995 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.116 -174.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.4 p -156.32 157.26 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 CA-C-O 120.72 0.295 . . . . 0.0 111.136 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD11 ' O ' ' A' ' 19' ' ' LEU . 68.6 mt -145.74 141.72 28.27 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 124.627 1.171 . . . . 0.0 108.59 175.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.594 HG22 HG13 ' A' ' 63' ' ' ILE . 44.0 p -79.93 144.11 33.63 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -57.2 -36.11 70.44 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.142 0.496 . . . . 0.0 111.047 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -77.55 -23.76 50.0 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.237 -173.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 30' ' ' THR . 15.4 pt-20 -80.32 -29.13 38.05 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 176.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.447 HG23 HD13 ' A' ' 19' ' ' LEU . 89.5 mt -67.07 -41.68 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.124 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.779 175.339 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.09 -30.72 71.28 Favored 'General case' 0 N--CA 1.432 -1.347 0 C-N-CA 124.081 0.953 . . . . 0.0 110.857 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.86 -51.82 68.09 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.886 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -69.18 -30.49 68.7 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -81.3 -3.36 52.3 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.829 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t -79.98 -4.26 51.76 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 t -74.08 -28.89 61.6 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -110.24 -169.57 1.49 Allowed 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 114.098 -1.41 . . . . 0.0 107.301 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -125.23 89.64 3.09 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.5 129.81 60.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.627 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.69 167.72 21.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.535 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.6 t -66.82 -32.06 73.1 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 176.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.58 -43.73 75.9 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.59 -36.8 84.99 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.987 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -64.8 -42.1 95.28 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.848 175.618 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 19.4 t70 -61.14 -34.93 75.79 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.319 0.387 . . . . 0.0 110.661 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.64 -47.56 81.89 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.648 0.737 . . . . 0.0 109.522 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -68.57 -34.43 75.8 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.0 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 22.9 m-85 -61.89 -42.15 98.74 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.291 -0.256 . . . . 0.0 111.35 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.25 -43.45 98.8 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.355 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 51.4 t80 -57.64 -50.39 73.31 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 83.0 mt -57.34 -42.49 82.08 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.565 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.53 98.63 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.802 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.25 -38.81 88.05 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 122.989 0.515 . . . . 0.0 111.072 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 24.7 mm-40 -76.15 -50.16 15.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 -176.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.3 56.65 0.04 OUTLIER Glycine 0 C--N 1.304 -1.199 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.075 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.5 t -139.2 128.75 30.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 40.3 mt-10 -90.68 136.49 33.03 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.91 112.39 25.34 Favored 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.353 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.594 HG13 HG22 ' A' ' 30' ' ' THR . 25.7 pt -94.99 173.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.553 ' O ' ' HB ' ' A' ' 30' ' ' THR . 41.2 t -72.31 -91.36 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 64' ' ' SER . 20.7 tt0 161.91 -12.17 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 127.831 2.452 . . . . 0.0 106.507 175.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.46 -2.05 30.21 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 168.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -139.55 155.61 47.39 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.49 120.37 5.68 Favored 'General case' 0 C--N 1.273 -2.744 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 177.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.7 p -131.04 20.02 4.94 Favored 'General case' 0 C--N 1.271 -2.828 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.476 -172.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.91 -16.56 21.68 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -131.86 86.76 2.37 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.367 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.44 8.1 12.04 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.607 0.717 . . . . 0.0 109.716 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -95.03 124.44 39.08 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.204 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -92.9 106.08 18.1 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -134.38 145.02 48.56 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.159 -175.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 . . . . . 0 C--N 1.307 -1.251 0 CA-C-O 118.971 -0.538 . . . . 0.0 111.272 -178.911 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 121.014 0.435 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -83.44 119.46 24.69 Favored 'General case' 0 CA--C 1.491 -1.317 0 CA-C-O 121.591 0.71 . . . . 0.0 112.738 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.02 21.77 4.52 Favored 'General case' 0 C--N 1.282 -2.329 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.172 174.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -71.11 165.3 23.84 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.94 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -76.69 155.87 32.98 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -78.75 92.81 4.85 Favored 'General case' 0 C--O 1.25 1.102 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.981 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HG3' ' H ' ' A' ' 9' ' ' GLU . 10.4 pt-20 -176.3 -177.39 0.86 Allowed 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 126.63 1.972 . . . . 0.0 106.749 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -88.12 2.8 51.21 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 122.544 1.164 . . . . 0.0 110.725 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 12.5 mm-40 -98.49 142.72 29.75 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.475 -178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.22 179.05 6.12 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.536 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 23.8 p -101.76 171.53 7.48 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.214 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -60.73 -37.09 80.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.558 1.171 . . . . 0.0 110.716 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.477 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 20.6 m-20 -64.62 -38.08 89.78 Favored 'General case' 0 CA--C 1.5 -0.942 0 CA-C-N 112.897 -1.956 . . . . 0.0 111.974 175.169 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.536 ' HB2' ' H ' ' A' ' 11' ' ' THR . 8.7 mm100 -73.64 -38.41 65.01 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.449 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 76.5 t -72.71 -38.48 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.358 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.185 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.2 mtmt -57.4 -49.96 74.51 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.16 -26.18 68.19 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.7 pt20 -71.3 -51.28 25.3 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-O 122.201 1.0 . . . . 0.0 108.901 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.519 HD13 HG23 ' A' ' 34' ' ' ILE . 56.7 mt -66.67 -35.87 81.18 Favored 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 113.134 -1.848 . . . . 0.0 112.068 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 18.0 m -57.5 -51.01 71.19 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.917 176.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 25.2 tt0 -62.77 -42.11 99.54 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.685 0.755 . . . . 0.0 110.463 -174.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 25.1 m -64.78 -45.78 84.89 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.698 -176.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.78 89.62 Favored Glycine 0 C--O 1.209 -1.444 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.475 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 27.2 mmmt -64.31 -34.76 78.89 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.951 -0.625 . . . . 0.0 112.393 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 60.2 mtpt -76.89 -37.73 54.9 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.204 0.526 . . . . 0.0 111.295 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 22' ' ' SER . 87.5 mtt180 -85.13 -46.64 10.93 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 122.189 0.995 . . . . 0.0 111.819 -175.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.67 5.77 44.61 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 -174.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 8.3 p -162.5 156.39 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.923 0 CA-C-N 115.313 -0.444 . . . . 0.0 110.169 -174.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 67.3 mt -150.55 142.2 23.62 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 174.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.56 HG22 HG13 ' A' ' 63' ' ' ILE . 39.4 p -74.1 139.67 44.76 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.281 170.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 70.7 m-85 -51.31 -40.65 59.47 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.646 0.736 . . . . 0.0 110.394 178.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -82.11 -25.34 34.55 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.7 -25.71 62.2 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 118.576 -1.249 . . . . 0.0 107.799 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.519 HG23 HD13 ' A' ' 19' ' ' LEU . 84.5 mt -67.49 -42.91 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-N 113.954 -1.476 . . . . 0.0 109.211 175.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.29 -28.81 67.51 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.266 1.027 . . . . 0.0 111.334 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -51.6 68.89 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 123.707 0.803 . . . . 0.0 110.411 -175.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -69.95 -24.5 63.36 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.965 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.459 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.3 mmt -84.38 -6.64 59.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 m -61.34 -27.46 68.52 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.386 0.613 . . . . 0.0 109.934 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -60.86 -29.89 69.8 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.859 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' HB2' HG12 ' A' ' 43' ' ' ILE . 28.5 m-85 -110.36 -5.43 15.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.289 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 60.26 39.03 19.54 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.083 0.953 . . . . 0.0 111.253 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.559 HG12 ' HB2' ' A' ' 41' ' ' PHE . 45.1 mm -63.68 126.91 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.741 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -75.89 159.85 30.52 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.504 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -57.43 -34.49 69.01 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 123.859 0.864 . . . . 0.0 111.297 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.83 -49.36 73.15 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 121.427 0.632 . . . . 0.0 109.607 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.02 -37.12 86.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.516 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.517 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -59.35 -42.0 90.52 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.694 176.73 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' HA ' ' CD1' ' A' ' 52' ' ' TYR . 23.5 t70 -61.78 -38.56 88.52 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.666 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.4 -40.02 89.44 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.604 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CE2' HD11 ' A' ' 55' ' ' LEU . 23.1 t80 -71.09 -36.68 72.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.334 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 49' ' ' ASP . 23.0 m-85 -62.54 -42.6 99.63 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.578 0.704 . . . . 0.0 110.699 -179.088 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.22 -38.87 92.85 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.507 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.416 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 37.4 t80 -60.96 -51.6 68.59 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.941 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 96.9 mt -57.75 -39.86 78.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.155 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.37 -41.63 98.56 Favored Glycine 0 CA--C 1.511 -0.218 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.516 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -65.17 -31.19 72.25 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.475 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 79.8 mm-40 -78.35 -47.9 16.71 Favored 'General case' 0 C--O 1.227 -0.131 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.83 51.64 0.06 OUTLIER Glycine 0 C--N 1.308 -1.02 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.44 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.452 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 30.4 t -133.31 128.01 54.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 46.8 mt-10 -89.97 140.06 29.99 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 172.461 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.6 mm? -102.8 116.75 33.17 Favored 'General case' 0 N--CA 1.41 -2.462 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.758 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.56 HG13 HG22 ' A' ' 30' ' ' THR . 4.6 pt -88.13 165.5 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.623 0 CA-C-O 122.145 0.974 . . . . 0.0 111.739 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.4 ' HB2' ' HG2' ' A' ' 67' ' ' GLU . 3.2 m -86.5 0.83 53.44 Favored 'General case' 0 C--N 1.256 -3.475 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -173.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -44.95 0.55 Allowed 'General case' 0 N--CA 1.508 2.433 0 C-N-CA 123.884 0.874 . . . . 0.0 110.167 177.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -56.0 -38.82 70.98 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 172.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 64' ' ' SER . 12.8 pt-20 -107.33 143.28 35.84 Favored 'General case' 0 N--CA 1.407 -2.595 0 CA-C-N 113.078 -1.874 . . . . 0.0 107.355 172.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -168.0 121.85 0.93 Allowed 'General case' 0 C--N 1.269 -2.92 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 p -143.41 31.64 1.34 Allowed 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.288 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -83.3 -21.83 33.14 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -142.34 122.56 13.84 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.119 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.3 mt -123.77 9.81 8.91 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 173.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -102.76 -12.34 17.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.648 -175.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 69.46 66.79 0.26 Allowed 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -170.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -76.33 134.6 39.67 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 113.508 -1.678 . . . . 0.0 112.272 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 . . . . . 0 C--N 1.302 -1.496 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 175.947 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.785 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -158.97 -16.82 0.07 Allowed 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -133.15 -174.47 3.5 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.559 ' OE1' ' HG ' ' A' ' 10' ' ' LEU . 26.9 tp60 65.95 81.08 0.21 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.36 1.076 . . . . 0.0 111.701 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -124.94 63.96 1.13 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 114.411 -1.268 . . . . 0.0 108.778 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 79.4 10.58 1.46 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.525 1.53 . . . . 0.0 114.412 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.4 165.38 24.66 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -90.42 122.82 33.62 Favored 'General case' 0 N--CA 1.411 -2.381 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 176.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.272 50.6 mt-10 76.23 140.6 0.07 Allowed 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 126.043 1.737 . . . . 0.0 113.046 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.559 ' HG ' ' OE1' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -110.89 -172.88 2.12 Favored 'General case' 0 N--CA 1.416 -2.163 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.77 -170.261 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.519 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 14.7 p -98.77 173.56 6.82 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -64.02 -39.54 94.33 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 122.742 1.258 . . . . 0.0 110.043 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 28.4 m-20 -67.45 -34.58 77.49 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 112.586 -2.097 . . . . 0.0 112.571 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.519 ' HB2' ' H ' ' A' ' 11' ' ' THR . 14.8 mm100 -73.58 -37.75 65.39 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' HB2' ' A' ' 10' ' ' LEU . 54.6 t -71.99 -39.93 67.12 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.454 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -177.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.8 mtmt -55.62 -49.21 73.44 Favored 'General case' 0 N--CA 1.415 -2.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.884 171.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.79 -27.6 69.41 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -68.24 -58.05 5.03 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' O ' HD11 ' A' ' 29' ' ' LEU . 34.8 mt -64.27 -41.9 96.71 Favored 'General case' 0 N--CA 1.407 -2.586 0 CA-C-N 113.568 -1.651 . . . . 0.0 111.875 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 20.5 m -59.92 -52.82 63.8 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.901 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.5 tt0 -64.33 -38.79 92.3 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.927 0.87 . . . . 0.0 110.232 -174.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.9 m -64.92 -47.08 79.01 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.542 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.52 -33.1 85.44 Favored Glycine 0 C--O 1.2 -1.994 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.451 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 28.8 mmmt -66.93 -29.97 69.99 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 177.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 94.8 mttt -76.6 -46.17 27.18 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 122.021 0.915 . . . . 0.0 109.637 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -77.06 -48.01 19.02 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.304 -173.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.45 6.74 50.15 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 113.615 -1.63 . . . . 0.0 109.121 -174.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -160.26 156.83 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 CA-C-N 115.162 -0.519 . . . . 0.0 111.269 -171.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 58.9 mt -151.59 136.37 17.17 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 125.104 1.362 . . . . 0.0 108.254 174.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.736 HG22 HG13 ' A' ' 63' ' ' ILE . 38.8 p -80.99 144.65 31.66 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 117.927 0.33 . . . . 0.0 110.275 173.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' HD1' ' CZ ' ' A' ' 52' ' ' TYR . 98.4 m-85 -56.34 -37.94 70.67 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.034 0.445 . . . . 0.0 110.828 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.58 -39.93 95.27 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.354 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.4 pt-20 -77.47 -28.05 52.17 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -176.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.407 HG23 HD13 ' A' ' 19' ' ' LEU . 85.3 mt -67.35 -47.68 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.003 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.4 -28.5 67.97 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.749 0.82 . . . . 0.0 110.647 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.89 -55.54 32.87 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.859 -174.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -71.46 -21.86 61.9 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.684 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.431 ' HG3' ' HE1' ' A' ' 48' ' ' MET . 25.1 mmt -85.56 -7.48 58.84 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.104 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.5 m -64.9 -21.94 66.91 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -65.59 -37.3 86.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.42 0.628 . . . . 0.0 109.513 175.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HB2' HG12 ' A' ' 43' ' ' ILE . 34.5 m-85 -90.33 -25.37 20.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.94 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 68.62 62.17 0.35 Allowed 'General case' 0 C--O 1.243 0.752 0 C-N-CA 124.752 1.221 . . . . 0.0 109.365 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 41' ' ' PHE . 38.2 mm -87.03 127.94 40.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 113.917 -1.492 . . . . 0.0 108.918 -178.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -79.88 168.05 19.76 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 123.736 0.814 . . . . 0.0 111.75 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -60.18 -35.03 74.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.97 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.72 -49.06 76.33 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.131 0.967 . . . . 0.0 110.131 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.446 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 40.6 mt-30 -72.48 -39.94 67.32 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.893 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.487 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -62.8 -38.36 90.38 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.26 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.94 -48.04 64.46 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.417 1.087 . . . . 0.0 111.421 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.14 -33.49 75.56 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.949 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -70.5 -37.14 74.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.401 ' CZ ' ' HD1' ' A' ' 31' ' ' TYR . 22.6 m-85 -61.26 -44.04 97.89 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.818 0.818 . . . . 0.0 109.635 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 39.8 tt0 -62.82 -42.71 99.84 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 113.822 -1.535 . . . . 0.0 109.603 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.493 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 42.3 t80 -59.44 -50.9 72.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.447 176.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.8 mt -56.98 -43.44 81.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.509 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.61 -39.45 95.12 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.626 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 20.6 mm-40 -64.44 -34.13 77.48 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 120.951 0.405 . . . . 0.0 111.612 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 22.3 mm-40 -77.21 -46.57 22.82 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.83 50.05 0.06 OUTLIER Glycine 0 C--N 1.298 -1.56 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.684 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 26.6 t -131.92 127.32 58.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.93 130.21 38.59 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -92.92 109.24 20.68 Favored 'General case' 0 N--CA 1.427 -1.617 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.275 -179.326 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.736 HG13 HG22 ' A' ' 30' ' ' THR . 33.0 pt -91.82 161.7 2.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-O 121.733 0.778 . . . . 0.0 112.621 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -78.94 0.61 26.77 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -170.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.508 ' HA ' HG21 ' A' ' 30' ' ' THR . 2.7 tm-20 79.04 -41.72 0.28 Allowed 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 123.984 0.914 . . . . 0.0 110.304 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -65.79 -18.56 65.42 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 122.135 0.969 . . . . 0.0 109.77 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' HG3' ' HB ' ' A' ' 63' ' ' ILE . 17.1 pt-20 -115.78 150.86 36.24 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 176.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.511 ' HB2' ' HG2' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -157.93 165.37 35.34 Favored 'General case' 0 C--N 1.288 -2.079 0 O-C-N 123.436 0.46 . . . . 0.0 110.511 178.374 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 p -135.01 28.41 3.49 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.511 ' HG2' ' HB2' ' A' ' 68' ' ' GLU . 4.0 mm-40 -100.47 -6.7 25.15 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.842 -169.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.1 -1.28 57.93 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.964 0.888 . . . . 0.0 109.725 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.0 mt -73.96 -38.34 64.24 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.624 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.17 -174.17 2.47 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -139.12 162.68 34.37 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -63.04 -37.01 85.48 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 118.476 0.58 . . . . 0.0 110.113 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.0 t60 . . . . . 0 N--CA 1.43 -1.443 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 175.438 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.524 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -150.26 -178.88 6.77 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -124.53 154.43 40.59 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 178.79 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -50.02 -72.8 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 O-C-N 123.849 0.718 . . . . 0.0 111.407 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.5 p -144.25 -63.43 0.37 Allowed 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -133.72 -166.97 1.86 Allowed 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 104.559 -2.386 . . . . 0.0 104.559 173.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -81.98 84.32 6.99 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 122.567 1.175 . . . . 0.0 108.823 172.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 9' ' ' GLU . 17.0 m -128.52 -163.85 1.32 Allowed 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 103.878 -2.638 . . . . 0.0 103.878 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.557 ' H ' HG22 ' A' ' 8' ' ' THR . 33.3 mt-10 -65.77 135.48 54.96 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 119.681 1.128 . . . . 0.0 109.325 173.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.07 179.99 5.56 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.4 p -99.56 175.53 5.8 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.25 -35.42 80.98 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 122.626 1.203 . . . . 0.0 110.505 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.9 -40.45 97.6 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 112.639 -2.073 . . . . 0.0 111.495 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.474 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 15.7 mm-40 -75.78 -35.68 60.03 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.532 0.682 . . . . 0.0 110.765 -177.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.4 t -72.51 -39.58 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.547 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.169 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -56.39 -49.98 72.9 Favored 'General case' 0 N--CA 1.412 -2.34 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.257 0.4 OUTLIER -63.99 -22.05 66.76 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 176.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.2 pt20 -70.06 -48.89 55.97 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.451 HD13 HG23 ' A' ' 34' ' ' ILE . 53.4 mt -68.08 -38.39 82.3 Favored 'General case' 0 N--CA 1.405 -2.681 0 CA-C-N 113.259 -1.791 . . . . 0.0 112.479 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 49.0 m -57.14 -53.33 59.28 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 124.009 0.818 . . . . 0.0 108.85 177.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.1 tt0 -62.76 -43.04 99.84 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.279 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.1 m -63.71 -47.41 81.22 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.47 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.96 92.74 Favored Glycine 0 C--O 1.205 -1.691 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.9 mmmt -65.76 -32.2 73.61 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 177.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 29.6 mtpp -74.68 -35.68 62.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.449 0.642 . . . . 0.0 111.074 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' A' ' 28' ' ' VAL . 97.2 mtt180 -86.55 -54.58 4.32 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 122.183 0.992 . . . . 0.0 112.288 -176.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.95 -0.16 27.13 Favored Glycine 0 N--CA 1.426 -2.023 0 CA-C-N 113.357 -1.747 . . . . 0.0 109.739 -173.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.2 p -159.79 158.42 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.675 0 CA-C-N 115.431 -0.384 . . . . 0.0 110.317 -173.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.4 mt -149.25 139.19 22.0 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 124.733 1.213 . . . . 0.0 108.401 174.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.471 HG22 HG13 ' A' ' 63' ' ' ILE . 25.5 p -75.92 141.02 42.4 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 171.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 52' ' ' TYR . 59.6 m-85 -53.27 -41.79 65.88 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.13 0.49 . . . . 0.0 112.079 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -70.18 -33.73 72.1 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.3 pt-20 -74.67 -22.74 58.71 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 119.222 -0.991 . . . . 0.0 109.069 -176.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.451 HG23 HD13 ' A' ' 19' ' ' LEU . 89.5 mt -71.66 -41.56 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.458 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.78 -28.32 68.29 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.06 0.944 . . . . 0.0 110.917 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.78 -53.04 62.54 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.052 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -71.79 -23.39 61.56 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.329 -177.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.8 mmt -84.92 -6.43 59.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.755 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -76.03 -12.99 60.23 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.151 0.501 . . . . 0.0 109.727 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -72.93 -25.93 61.21 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 173.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -105.38 -171.36 1.9 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -122.62 91.59 3.53 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 173.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.9 mm -112.13 122.52 66.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.802 -175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 42.9 mt-10 -70.51 154.39 41.93 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.22 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.0 t -63.26 -26.65 68.88 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.4 0.619 . . . . 0.0 109.498 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.46 -45.0 95.05 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.349 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' ' HB2' ' A' ' 44' ' ' GLU . 60.9 mt-30 -72.55 -35.82 68.11 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.274 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.52 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -57.68 -41.63 81.98 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.573 177.466 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.56 -35.82 80.69 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.883 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.7 -43.02 94.27 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -69.44 -39.0 78.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.146 177.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' CZ ' ' HD2' ' A' ' 31' ' ' TYR . 23.0 m-85 -61.58 -44.67 96.59 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 120.985 0.421 . . . . 0.0 111.4 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 35.4 tt0 -64.49 -39.21 93.37 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.699 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.98 -51.3 70.23 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 123.944 0.777 . . . . 0.0 109.712 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.498 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.1 mt -56.61 -45.23 81.58 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.55 179.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.25 -40.46 97.4 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.749 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 89.9 mt-10 -65.73 -32.31 73.79 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 177.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 86.5 mm-40 -78.44 -43.45 27.2 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.18 40.8 0.1 Allowed Glycine 0 C--N 1.294 -1.787 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.195 176.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 23.7 t -125.27 124.53 67.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 51.7 mt-10 -91.52 135.82 33.58 Favored 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -99.25 116.11 30.69 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.184 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 30' ' ' THR . 24.1 pt -98.05 169.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.485 175.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.1 t -66.0 -90.64 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 123.216 0.606 . . . . 0.0 112.199 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' HA ' HG21 ' A' ' 30' ' ' THR . 4.2 tm-20 175.9 -32.22 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 124.817 1.247 . . . . 0.0 108.079 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.0 -10.47 59.5 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 122.428 1.109 . . . . 0.0 110.449 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' HG3' ' HB ' ' A' ' 63' ' ' ILE . 18.7 pt-20 -123.89 157.75 33.51 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.867 -177.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -176.16 180.0 1.19 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 103.3 -2.852 . . . . 0.0 103.3 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 p -121.9 -6.26 9.03 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 118.94 0.791 . . . . 0.0 111.766 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -70.41 -31.67 68.97 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -102.4 84.71 2.49 Favored 'General case' 0 N--CA 1.413 -2.308 0 CA-C-O 122.187 0.994 . . . . 0.0 111.912 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.76 0.53 9.83 Favored 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 113.362 -1.745 . . . . 0.0 106.538 169.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -158.55 12.98 0.17 Allowed 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.442 -176.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -92.59 -31.33 15.21 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.98 -72.47 0.11 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.765 172.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.4 t60 . . . . . 0 C--O 1.234 0.26 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 175.599 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.573 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -115.07 87.74 2.72 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.663 0.744 . . . . 0.0 109.797 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.9 mmtp -114.45 -4.53 12.9 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.126 178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -86.15 69.07 10.46 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 122.149 0.976 . . . . 0.0 111.757 -175.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -95.93 4.93 52.32 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.269 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 9' ' ' GLU . 12.1 t-160 -99.98 151.13 21.7 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.04 91.09 0.09 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -177.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 m 65.67 5.48 3.34 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.415 1.486 . . . . 0.0 112.436 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 6' ' ' HIS . 30.2 mm-40 -98.01 125.52 43.0 Favored 'General case' 0 C--N 1.271 -2.814 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 175.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -108.04 172.06 7.05 Favored 'General case' 0 N--CA 1.409 -2.476 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -174.515 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.494 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 33.8 p -105.75 179.17 4.35 Favored 'General case' 0 N--CA 1.411 -2.38 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -61.23 -36.67 80.59 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.106 0.955 . . . . 0.0 111.536 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -63.04 -42.4 99.72 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 113.595 -1.638 . . . . 0.0 110.722 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.588 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 20.1 mm-40 -73.18 -40.14 65.03 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.184 -172.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 70.3 t -70.78 -38.39 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.899 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -56.95 -47.08 81.51 Favored 'General case' 0 N--CA 1.408 -2.559 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.332 173.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.5 -28.0 69.53 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.1 pt20 -70.61 -51.21 29.74 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.082 0.944 . . . . 0.0 108.763 -178.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' HD11 ' A' ' 29' ' ' LEU . 29.4 mt -66.69 -42.34 86.64 Favored 'General case' 0 N--CA 1.416 -2.168 0 CA-C-N 113.642 -1.617 . . . . 0.0 112.245 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -57.77 -50.88 71.77 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.051 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG2' ' HD2' ' A' ' 25' ' ' LYS . 28.9 tt0 -63.15 -40.44 97.58 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.604 0.716 . . . . 0.0 109.649 -176.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.0 m -63.13 -45.33 92.44 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.609 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.95 -35.92 92.47 Favored Glycine 0 N--CA 1.425 -2.068 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 26.4 mmmt -64.55 -36.54 84.56 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' HG2' ' A' ' 21' ' ' GLU . 43.3 mtpt -76.05 -32.17 59.18 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.139 0.495 . . . . 0.0 111.451 -179.031 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -89.75 -52.76 4.83 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 122.577 1.179 . . . . 0.0 112.48 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.26 -1.01 26.71 Favored Glycine 0 N--CA 1.434 -1.484 0 CA-C-N 113.454 -1.703 . . . . 0.0 109.955 -174.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 11.2 p -159.45 150.66 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 CA-C-O 121.071 0.462 . . . . 0.0 111.053 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 19' ' ' LEU . 60.9 mt -138.08 145.45 41.73 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.849 175.415 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.505 HG22 HG13 ' A' ' 63' ' ' ILE . 32.1 p -79.68 139.37 37.4 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -54.61 -36.89 64.94 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 121.131 0.491 . . . . 0.0 111.546 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -78.64 -26.77 45.25 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -172.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.9 pt-20 -74.38 -26.14 59.92 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 38' ' ' MET . 81.6 mt -68.95 -43.04 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.687 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.609 176.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.01 -33.42 74.57 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.827 0.822 . . . . 0.0 110.209 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 29.0 tt0 -59.39 -51.87 68.05 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 125.325 1.45 . . . . 0.0 111.631 -173.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -72.47 -21.7 61.18 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.038 0.447 . . . . 0.0 110.676 -177.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.7 mmt -85.6 2.7 43.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.639 -178.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.4 p -66.22 -17.51 64.78 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.3 0.572 . . . . 0.0 111.973 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.9 m -74.21 -20.74 60.09 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 121.564 0.697 . . . . 0.0 109.644 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.7 m-85 -112.64 -177.57 3.18 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -119.68 72.83 0.93 Allowed 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 41' ' ' PHE . 37.8 mm -92.59 119.7 40.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.153 -174.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.99 156.61 39.04 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.183 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.7 m -60.45 -27.51 67.58 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.57 -46.19 80.4 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -66.51 -38.92 88.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.34 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -61.09 -40.53 94.07 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.303 177.544 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.08 -35.93 81.9 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.184 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.69 -43.34 99.05 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.685 0.755 . . . . 0.0 109.153 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -68.22 -36.59 79.74 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.271 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -62.85 -40.25 96.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.995 0.426 . . . . 0.0 110.401 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.97 -45.63 88.24 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.767 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.444 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 44.9 t80 -56.81 -50.32 72.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.706 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.528 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 91.7 mt -57.94 -43.26 86.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.365 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.49 -40.76 98.16 Favored Glycine 0 C--O 1.241 0.532 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.231 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.73 -33.86 76.6 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 123.292 0.637 . . . . 0.0 112.3 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 73.7 mm-40 -79.8 -39.5 30.69 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.2 43.43 0.15 Allowed Glycine 0 C--N 1.303 -1.27 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.647 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.4 t -127.28 125.04 65.31 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 46.5 mt-10 -92.57 142.42 27.42 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 174.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.6 121.45 42.95 Favored 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.221 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 30' ' ' THR . 29.6 pt -103.41 171.73 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.659 175.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.5 t -68.36 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 O-C-N 123.286 0.366 . . . . 0.0 111.64 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 38.8 tt0 173.47 -34.43 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 125.327 1.451 . . . . 0.0 107.704 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -81.68 16.85 1.62 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 122.421 1.105 . . . . 0.0 109.817 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -140.67 151.05 44.26 Favored 'General case' 0 N--CA 1.413 -2.292 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -151.44 162.14 41.47 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 p -86.48 0.01 55.1 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 122.142 0.972 . . . . 0.0 109.556 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -79.26 0.07 30.2 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.656 -175.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -73.25 -13.51 61.15 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 122.99 1.376 . . . . 0.0 109.69 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.6 mt -94.93 8.78 41.69 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.077 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 53.19 92.86 0.02 OUTLIER 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.414 1.085 . . . . 0.0 113.142 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -96.43 -75.46 0.53 Allowed 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -175.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -85.16 -79.76 0.22 Allowed 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -173.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 . . . . . 0 C--N 1.297 -1.69 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -177.591 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-O 120.797 0.332 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.562 ' OD1' ' HB3' ' A' ' 13' ' ' ASP . 12.1 p-10 -136.16 -160.09 1.02 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -173.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -132.39 131.89 42.28 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.533 ' HB3' ' HG3' ' A' ' 14' ' ' GLN . 28.1 pt20 -65.18 115.38 5.47 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 174.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.5 t -89.28 -8.71 52.82 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.817 0.818 . . . . 0.0 109.22 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 24.6 m170 -101.33 151.07 22.33 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -93.61 118.42 31.35 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m 68.71 18.44 8.71 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-O 122.661 1.219 . . . . 0.0 109.91 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 6' ' ' HIS . 37.8 mm-40 -140.66 118.77 11.95 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.304 -1.316 . . . . 0.0 107.928 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -105.54 175.48 5.48 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.529 -174.114 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.528 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 49.0 p -100.67 178.13 4.8 Favored 'General case' 0 N--CA 1.411 -2.403 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.5 -38.78 87.98 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.654 1.216 . . . . 0.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.562 ' HB3' ' OD1' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -65.86 -34.99 79.41 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 112.728 -2.033 . . . . 0.0 111.986 175.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.533 ' HG3' ' HB3' ' A' ' 4' ' ' GLN . 26.3 mm-40 -73.32 -40.23 64.65 Favored 'General case' 0 CA--C 1.494 -1.189 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.361 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.0 t -70.54 -36.79 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.924 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.53 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.1 mtmt -57.22 -47.25 81.79 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.639 171.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.17 -30.13 70.84 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.8 pt20 -70.36 -50.4 39.33 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 122.286 1.041 . . . . 0.0 108.702 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.457 HD13 HG23 ' A' ' 34' ' ' ILE . 27.8 mt -66.18 -39.26 89.59 Favored 'General case' 0 N--CA 1.411 -2.401 0 CA-C-N 113.488 -1.687 . . . . 0.0 112.307 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 17.0 m -58.82 -52.55 65.22 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.848 0.717 . . . . 0.0 110.538 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 10.1 tp10 -63.7 -41.12 98.16 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.111 0.957 . . . . 0.0 110.199 -175.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 24.0 m -65.35 -43.97 89.16 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.504 -177.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.24 -34.23 88.97 Favored Glycine 0 C--O 1.206 -1.608 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.8 mmmt -64.34 -33.76 76.58 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 177.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.9 mtpp -74.82 -39.63 61.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.076 0.941 . . . . 0.0 110.336 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 22' ' ' SER . 95.0 mtt180 -82.95 -44.2 15.58 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.715 -173.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.76 7.95 58.53 Favored Glycine 0 N--CA 1.423 -2.182 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 -175.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 8.9 p -166.66 156.72 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -2.019 0 CA-C-N 115.114 -0.543 . . . . 0.0 110.582 -173.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.2 mt -149.52 137.47 20.43 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 124.787 1.235 . . . . 0.0 108.108 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.538 HG22 HG13 ' A' ' 63' ' ' ILE . 27.2 p -76.74 141.84 40.67 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -56.21 -41.87 76.29 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 121.442 0.639 . . . . 0.0 110.948 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.61 -16.45 61.24 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -174.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.5 pt-20 -88.86 -25.25 22.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 118.876 -1.13 . . . . 0.0 108.007 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.457 HG23 HD13 ' A' ' 19' ' ' LEU . 79.8 mt -68.82 -41.56 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 176.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.18 -28.6 67.41 Favored 'General case' 0 N--CA 1.432 -1.358 0 C-N-CA 124.395 1.078 . . . . 0.0 110.296 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -62.09 -48.3 80.79 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 124.764 1.226 . . . . 0.0 110.655 -174.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 8.8 mmt85 -73.39 -27.52 61.51 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.981 0.419 . . . . 0.0 110.95 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.6 mmt -83.18 -9.12 59.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.596 -177.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.1 m -59.09 -29.88 67.68 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 122.581 0.352 . . . . 0.0 111.279 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 m -63.26 -32.9 74.42 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -93.75 -26.78 16.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.301 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 63.76 72.28 0.47 Allowed 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.856 0.862 . . . . 0.0 109.031 -173.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 36.1 mm -86.82 133.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.148 -175.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.91 151.47 46.67 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.768 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -60.52 -29.18 68.95 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.067 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.98 -53.52 57.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.44 0.696 . . . . 0.0 109.923 175.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 39.0 mt-30 -72.35 -32.09 66.18 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.253 -177.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.504 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.2 OUTLIER -62.83 -47.65 82.51 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.662 178.74 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.71 -42.23 88.2 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.146 0.578 . . . . 0.0 109.97 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.14 -43.4 95.76 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.399 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -68.45 -38.65 81.33 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.873 177.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -61.99 -41.83 98.47 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.33 0.586 . . . . 0.0 111.196 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 30.2 tt0 -64.97 -42.11 94.85 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.436 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.45 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 40.3 t80 -57.2 -51.3 69.87 Favored 'General case' 0 N--CA 1.444 -0.739 0 O-C-N 123.659 0.599 . . . . 0.0 110.383 175.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 80.1 mt -57.57 -41.55 81.31 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.143 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.86 -38.24 95.02 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.7 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.6 mm-40 -63.33 -36.83 84.98 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 122.656 0.382 . . . . 0.0 111.921 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 63.4 mm-40 -77.97 -44.85 25.54 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -177.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.09 36.45 0.1 OUTLIER Glycine 0 C--N 1.304 -1.207 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.177 174.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.4 t -119.96 126.02 74.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 39.9 mt-10 -90.68 133.07 35.41 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.431 HD12 HD11 ' A' ' 34' ' ' ILE . 1.2 mm? -100.07 111.95 24.24 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.129 -178.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.538 HG13 HG22 ' A' ' 30' ' ' THR . 33.8 pt -98.18 169.95 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.625 177.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.413 ' O ' ' HB ' ' A' ' 30' ' ' THR . 33.2 t -67.11 -86.1 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.266 0.555 . . . . 0.0 112.327 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 67' ' ' GLU . 37.6 tt0 160.02 -25.79 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 -178.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -80.06 17.1 1.05 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 113.519 -1.673 . . . . 0.0 109.684 172.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 65' ' ' GLU . 16.4 pt-20 -156.52 152.37 27.25 Favored 'General case' 0 N--CA 1.425 -1.698 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' OE1' ' HB2' ' A' ' 71' ' ' ASP . 30.5 tt0 -177.23 125.25 0.14 Allowed 'General case' 0 C--N 1.296 -1.72 0 O-C-N 124.327 1.017 . . . . 0.0 108.748 178.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.7 p -105.71 -14.56 15.21 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-O 121.558 0.694 . . . . 0.0 112.565 -174.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 68' ' ' GLU . 12.0 pt-20 -77.1 -19.45 56.98 Favored 'General case' 0 C--N 1.291 -1.966 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.829 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' HB2' ' OE1' ' A' ' 68' ' ' GLU . 34.6 t70 -79.67 -13.93 59.14 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.447 -173.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.5 mt -75.54 -24.75 56.78 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.881 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -127.19 52.31 1.82 Allowed 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -68.45 -44.24 75.31 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.743 -1.572 . . . . 0.0 110.393 -175.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 63.96 -86.95 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.307 1.043 . . . . 0.0 110.425 -173.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 N--CA 1.427 -1.607 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 -179.524 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.497 0 CA-C-O 120.836 0.351 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -149.12 -170.74 3.71 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -77.79 112.66 14.87 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -56.25 168.05 0.58 Allowed 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.997 0.81 . . . . 0.0 112.889 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -63.31 167.15 5.53 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.18 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -70.35 150.01 46.75 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 70.21 -160.9 0.16 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 124.417 1.087 . . . . 0.0 112.751 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 p -75.54 9.82 2.02 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -171.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -112.61 143.67 43.41 Favored 'General case' 0 C--N 1.276 -2.625 0 CA-C-O 120.964 0.412 . . . . 0.0 110.145 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.59 -179.1 4.62 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.547 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 12.4 p -96.26 174.88 6.67 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -64.22 -37.17 86.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.888 1.328 . . . . 0.0 110.199 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.61 -42.27 98.64 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 112.014 -2.357 . . . . 0.0 110.483 174.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.547 ' HB2' ' H ' ' A' ' 11' ' ' THR . 16.4 mm100 -76.44 -35.04 58.71 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.909 -175.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 44.4 t -72.29 -40.0 64.58 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.623 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -55.84 -47.76 76.66 Favored 'General case' 0 N--CA 1.411 -2.408 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.25 53.7 mt-10 -65.15 -24.99 67.55 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.8 pt20 -70.93 -49.9 40.62 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.31 -41.39 96.86 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 113.574 -1.648 . . . . 0.0 111.549 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 8.5 m -60.59 -50.83 71.96 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.522 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.7 tp10 -60.4 -44.38 95.74 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 m -62.09 -49.31 76.44 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.429 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.66 -35.5 92.12 Favored Glycine 0 C--O 1.211 -1.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.301 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.5 mmmt -64.76 -31.32 72.49 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.816 0.362 . . . . 0.0 111.344 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.6 mtpp -74.53 -43.31 56.42 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.721 0.772 . . . . 0.0 110.213 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -78.27 -48.13 16.39 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.53 -173.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.54 9.37 47.1 Favored Glycine 0 N--CA 1.42 -2.411 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -173.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -164.94 156.75 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.723 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.23 -173.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 56.4 mt -152.65 135.22 15.26 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 125.07 1.348 . . . . 0.0 108.051 174.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.55 HG22 HG13 ' A' ' 63' ' ' ILE . 33.6 p -75.99 144.88 40.67 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 172.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -56.01 -37.31 68.97 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 121.664 0.745 . . . . 0.0 110.788 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.25 -28.69 63.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 30' ' ' THR . 12.9 pt-20 -79.22 -28.85 42.53 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.442 HD11 HD12 ' A' ' 62' ' ' LEU . 83.9 mt -66.15 -42.55 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.52 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.29 73.3 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 123.84 0.856 . . . . 0.0 110.719 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.76 -44.01 97.31 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.394 -172.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 mmt-85 -70.94 -25.45 62.74 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.665 0.745 . . . . 0.0 110.033 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.3 mmt -82.42 1.33 37.91 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.979 -175.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.8 p -71.71 -14.15 61.94 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 122.059 0.933 . . . . 0.0 109.757 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 m -67.13 -29.93 69.8 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.009 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.465 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.9 m-85 -115.79 -172.1 2.1 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.935 0.894 . . . . 0.0 108.88 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.35 83.78 2.04 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.465 HG12 ' HB2' ' A' ' 41' ' ' PHE . 48.3 mm -95.9 125.21 48.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-O 122.139 0.971 . . . . 0.0 110.231 -176.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -78.55 168.52 19.66 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.686 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -67.06 -34.33 77.43 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -71.99 -36.74 69.86 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-O 121.756 0.788 . . . . 0.0 109.508 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.3 mm-40 -64.6 -45.07 88.5 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 114.084 -1.416 . . . . 0.0 109.236 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.489 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.1 mmt -63.57 -47.48 81.32 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.963 176.102 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.475 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 35.5 t70 -63.07 -38.25 90.43 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.3 -36.57 84.54 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' A' ' 55' ' ' LEU . 23.6 t80 -69.09 -37.03 78.21 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 22.9 m-85 -61.84 -42.47 99.08 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.22 0.533 . . . . 0.0 110.465 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.1 tp10 -64.08 -45.74 87.38 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.292 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 49.4 t80 -55.59 -51.14 68.13 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.247 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.431 HD11 ' CE2' ' A' ' 51' ' ' TYR . 82.3 mt -57.14 -42.03 80.21 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.237 0.542 . . . . 0.0 111.582 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.88 99.28 Favored Glycine 0 CA--C 1.503 -0.658 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.104 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 42.9 mt-10 -63.26 -35.05 79.04 Favored 'General case' 0 N--CA 1.427 -1.603 0 C-N-CA 122.676 0.391 . . . . 0.0 110.996 178.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 24.2 mm-40 -78.17 -48.93 14.81 Favored 'General case' 0 C--N 1.346 0.434 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.55 54.86 0.04 OUTLIER Glycine 0 C--N 1.301 -1.401 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.819 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.8 t -138.33 131.52 40.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -93.02 130.48 38.59 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.523 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -95.97 103.43 15.32 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.506 178.817 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.55 HG13 HG22 ' A' ' 30' ' ' THR . 32.2 pt -89.73 172.33 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.993 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.459 ' O ' ' HB ' ' A' ' 30' ' ' THR . 47.7 t -67.79 -87.29 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.131 0.491 . . . . 0.0 112.033 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' HA ' HG21 ' A' ' 30' ' ' THR . 26.2 tt0 170.41 -29.06 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 126.651 1.98 . . . . 0.0 105.74 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -68.71 -5.66 21.77 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.418 173.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 17.1 pt-20 -134.92 151.39 50.83 Favored 'General case' 0 N--CA 1.411 -2.386 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER 168.99 150.54 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 -179.533 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . 0.253 14.5 t -164.12 18.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.12 -14.79 9.9 Favored 'General case' 0 C--N 1.283 -2.303 0 C-N-CA 119.189 -1.004 . . . . 0.0 109.846 176.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -100.5 -11.88 19.77 Favored 'General case' 0 CA--C 1.493 -1.218 0 CA-C-O 122.591 1.186 . . . . 0.0 109.104 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.9 -18.27 64.73 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 113.971 -1.468 . . . . 0.0 108.728 172.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -90.66 -11.74 38.9 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.613 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -92.54 92.26 7.97 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-O 122.36 1.076 . . . . 0.0 113.385 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -100.52 12.11 38.01 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 113.159 -1.837 . . . . 0.0 107.663 170.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 . . . . . 0 N--CA 1.425 -1.713 0 CA-C-N 114.132 -1.395 . . . . 0.0 109.381 -178.826 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.48 ' OD1' ' HG3' ' A' ' 3' ' ' LYS . 22.1 t70 -124.92 -65.11 1.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' HG3' ' OD1' ' A' ' 2' ' ' ASP . 63.7 mttp -136.0 172.89 12.35 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 122.628 0.371 . . . . 0.0 110.466 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 4.7 pt20 -81.31 -171.34 3.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.041 0.448 . . . . 0.0 111.672 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 p -85.31 -176.27 6.06 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.771 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -72.23 -19.89 61.64 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.6 -167.59 1.9 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.7 p -85.92 5.82 31.29 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.743 0.783 . . . . 0.0 110.802 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 4' ' ' GLN . 16.0 mm-40 -92.18 149.45 21.47 Favored 'General case' 0 N--CA 1.409 -2.487 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.392 -173.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.638 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -121.22 175.59 6.04 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -177.259 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.649 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 8.0 p -100.98 178.22 4.73 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.78 -37.85 88.3 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.845 1.307 . . . . 0.0 110.851 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -62.31 -42.34 99.29 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 112.398 -2.183 . . . . 0.0 109.878 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.649 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 12.0 mm100 -75.97 -34.83 59.81 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.421 -171.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 54.9 t -71.02 -42.08 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -55.84 -47.62 76.95 Favored 'General case' 0 N--CA 1.418 -2.03 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.939 172.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.53 -29.98 70.35 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 1.9 pt20 -69.97 -49.59 50.15 Favored 'General case' 0 CA--C 1.481 -1.694 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -178.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.502 ' O ' HD11 ' A' ' 29' ' ' LEU . 33.1 mt -66.34 -41.26 89.83 Favored 'General case' 0 N--CA 1.404 -2.766 0 CA-C-N 113.55 -1.659 . . . . 0.0 112.008 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.569 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 23.5 m -58.37 -55.6 32.98 Favored 'General case' 0 CA--C 1.501 -0.925 0 O-C-N 123.847 0.717 . . . . 0.0 109.347 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 36.2 tt0 -64.1 -41.79 97.15 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.909 -174.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 54.4 m -61.32 -48.19 82.48 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.155 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.48 89.77 Favored Glycine 0 C--O 1.206 -1.622 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 20' ' ' THR . 28.1 mmmt -63.94 -35.07 79.48 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 122.665 0.386 . . . . 0.0 111.53 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.4 mtpp -73.93 -47.71 35.83 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.733 0.778 . . . . 0.0 109.693 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.607 ' NH2' ' HB2' ' A' ' 70' ' ' GLU . 70.4 mtp180 -76.06 -47.0 26.36 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.339 -172.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.05 3.2 51.68 Favored Glycine 0 N--CA 1.425 -2.094 0 CA-C-N 113.472 -1.695 . . . . 0.0 109.072 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.9 p -160.99 157.16 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.898 0 CA-C-N 115.067 -0.566 . . . . 0.0 110.993 -172.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 19' ' ' LEU . 67.1 mt -152.1 132.02 13.35 Favored 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 124.632 1.173 . . . . 0.0 108.461 174.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.546 HG22 HG13 ' A' ' 63' ' ' ILE . 22.5 p -72.16 141.88 49.1 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 118.429 0.559 . . . . 0.0 110.735 173.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -53.15 -33.35 52.12 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 122.788 0.435 . . . . 0.0 111.563 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.24 -41.08 74.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.356 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.8 pt-20 -74.99 -25.58 58.94 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.798 0.808 . . . . 0.0 109.525 -175.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.445 HD11 HD12 ' A' ' 62' ' ' LEU . 73.4 mt -69.68 -40.78 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.124 176.213 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -35.25 77.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.725 0.81 . . . . 0.0 110.298 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.77 -51.48 68.74 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.87 1.268 . . . . 0.0 112.034 -175.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -70.44 -29.39 65.96 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.731 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 mmt -82.54 -5.0 58.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.2 p -78.73 -2.08 37.65 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.575 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -72.08 -26.2 62.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 171.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.4 m-85 -112.52 -170.39 1.66 Allowed 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -114.48 75.98 0.96 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.547 HG12 ' HB2' ' A' ' 41' ' ' PHE . 29.4 mm -105.67 113.47 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.196 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -79.58 164.84 23.52 Favored 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 114.218 -1.356 . . . . 0.0 110.925 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 p -58.87 -32.02 69.09 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.043 0.937 . . . . 0.0 109.982 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.54 -49.61 72.19 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 125.256 1.422 . . . . 0.0 109.854 177.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -77.45 -37.75 50.86 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.057 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.482 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -56.14 -41.38 75.27 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.355 177.341 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' HA ' ' CD1' ' A' ' 52' ' ' TYR . 19.4 t70 -58.64 -38.41 78.01 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 124.442 1.097 . . . . 0.0 110.945 178.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.3 -39.4 89.32 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.39 -0.823 . . . . 0.0 108.893 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.44 ' CE2' HD11 ' A' ' 55' ' ' LEU . 25.2 t80 -70.2 -34.34 72.81 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.755 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 49' ' ' ASP . 22.8 m-85 -62.19 -38.99 91.21 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.196 0.522 . . . . 0.0 110.946 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.01 -47.85 81.34 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.407 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 49.9 t80 -54.27 -52.8 60.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.956 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.453 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.5 mt -58.02 -43.39 86.69 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.371 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.66 96.87 Favored Glycine 0 CA--C 1.51 -0.278 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.236 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.72 -33.67 76.15 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 76.6 mm-40 -80.54 -46.88 15.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.01 -178.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.9 47.1 0.04 OUTLIER Glycine 0 C--N 1.308 -1.015 0 C-N-CA 119.96 -1.114 . . . . 0.0 112.766 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.453 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.7 t -136.87 124.03 31.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 42.5 mt-10 -91.31 131.15 37.0 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 174.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -94.19 109.11 20.92 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.215 -178.915 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.546 HG13 HG22 ' A' ' 30' ' ' THR . 23.2 pt -88.86 162.08 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.529 0 CA-C-O 122.918 1.342 . . . . 0.0 114.075 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.0 m -91.13 6.33 45.45 Favored 'General case' 0 N--CA 1.39 -3.437 0 CA-C-N 112.157 -2.292 . . . . 0.0 115.018 -177.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 67' ' ' GLU . 1.7 tm-20 72.18 -42.08 0.52 Allowed 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -77.25 15.67 0.7 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 122.548 1.166 . . . . 0.0 109.732 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' A' ' 65' ' ' GLU . 13.0 pt-20 -146.96 173.54 12.34 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.425 ' HG2' ' HG3' ' A' ' 67' ' ' GLU . 20.2 mm-40 58.1 -174.85 0.08 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.078 1.351 . . . . 0.0 114.146 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 t -142.71 84.26 1.84 Allowed 'General case' 0 N--CA 1.414 -2.261 0 CA-C-O 122.873 1.321 . . . . 0.0 110.069 176.429 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.607 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -94.3 5.37 51.97 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.668 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -80.8 -29.01 36.11 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.608 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.25 -16.25 61.93 Favored 'General case' 0 C--N 1.277 -2.572 0 CA-C-N 114.033 -1.44 . . . . 0.0 113.798 -173.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -89.24 -7.28 55.81 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 49.0 m80 75.18 138.95 0.06 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.473 1.509 . . . . 0.0 113.129 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 61.5 t-80 -80.78 -42.8 21.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.6 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.2 m80 . . . . . 0 C--N 1.308 -1.223 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 176.786 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.409 -2.493 0 CA-C-O 121.156 0.503 . . . . 0.0 110.394 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.533 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 70.1 p -101.31 175.73 5.48 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -59.47 -37.71 78.91 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.959 1.362 . . . . 0.0 109.868 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.489 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 30.8 t70 -64.64 -41.1 96.37 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 112.059 -2.337 . . . . 0.0 112.347 175.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.625 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 27.7 mm-40 -74.76 -34.17 62.44 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 121.392 0.615 . . . . 0.0 110.383 -175.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 66.0 t -71.04 -39.81 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.092 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 8.3 mtmp? -55.97 -49.47 73.47 Favored 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.516 172.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -62.22 -28.94 70.04 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.7 pt20 -70.47 -52.54 21.36 Favored 'General case' 0 C--N 1.371 1.532 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.484 ' O ' HD11 ' A' ' 29' ' ' LEU . 35.0 mt -64.53 -35.14 80.01 Favored 'General case' 0 N--CA 1.41 -2.466 0 CA-C-N 113.493 -1.685 . . . . 0.0 111.429 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 12.6 m -59.39 -51.77 68.5 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.003 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.8 -42.63 97.68 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.319 0.58 . . . . 0.0 110.485 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.1 m -60.55 -48.51 81.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.067 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.98 92.77 Favored Glycine 0 C--O 1.209 -1.448 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.031 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.7 mmmt -65.1 -33.34 75.8 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 122.656 0.382 . . . . 0.0 112.005 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.13 -40.92 59.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.706 0.765 . . . . 0.0 110.943 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -83.27 -46.48 12.6 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.457 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.92 9.88 50.96 Favored Glycine 0 N--CA 1.427 -1.955 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 -174.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.6 p -164.68 156.92 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.686 0 CA-C-N 115.098 -0.551 . . . . 0.0 110.815 -173.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 19' ' ' LEU . 58.8 mt -153.04 132.48 12.9 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 124.951 1.3 . . . . 0.0 108.633 174.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.548 HG22 HG13 ' A' ' 63' ' ' ILE . 40.7 p -73.9 145.96 44.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -58.66 -39.47 80.69 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -77.92 -22.42 49.67 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 119.07 -1.052 . . . . 0.0 112.862 -173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.3 pt-20 -77.18 -24.95 51.41 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.455 ' O ' ' HG2' ' A' ' 38' ' ' MET . 93.4 mt -73.23 -43.53 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.356 175.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.77 69.64 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.543 1.137 . . . . 0.0 110.917 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.27 -53.4 58.56 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 125.698 1.599 . . . . 0.0 110.61 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -72.66 -26.64 61.71 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.809 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.3 mmt -82.74 -2.57 54.69 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.987 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -73.69 -11.99 60.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.946 0.879 . . . . 0.0 109.28 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.8 m -75.03 -22.17 58.6 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.818 0.818 . . . . 0.0 109.374 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -113.95 -173.83 2.35 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.202 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -115.24 87.3 2.63 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mm -115.67 116.81 53.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 CA-C-O 121.316 0.579 . . . . 0.0 110.447 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.53 165.31 24.49 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.999 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 p -58.47 -35.85 72.81 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 124.359 1.064 . . . . 0.0 111.075 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.43 -45.11 89.14 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.456 0.702 . . . . 0.0 110.81 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -74.13 -38.64 63.72 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -58.28 -42.56 86.84 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.005 176.197 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -53.71 -45.69 70.52 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.404 1.082 . . . . 0.0 110.531 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.06 -41.35 87.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.336 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.433 ' CE2' HD11 ' A' ' 55' ' ' LEU . 20.1 t80 -70.12 -38.17 75.5 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.325 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -62.55 -41.28 98.8 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 121.347 0.594 . . . . 0.0 110.585 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -62.67 -46.05 89.98 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.939 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.639 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 36.2 t80 -54.89 -54.55 41.07 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.396 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.444 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 85.5 mt -57.13 -45.21 83.71 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.08 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.9 -42.69 94.87 Favored Glycine 0 CA--C 1.504 -0.621 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.313 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.59 -29.37 68.71 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 66.6 mm-40 -80.0 -44.21 20.6 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.98 45.15 0.05 OUTLIER Glycine 0 C--N 1.3 -1.431 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.066 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 24.0 t -131.62 125.13 55.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 44.5 mt-10 -90.74 131.99 36.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -97.05 109.03 21.87 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.628 179.402 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 30' ' ' THR . 17.5 pt . . . . . 0 C--N 1.318 -0.788 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.533 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.77 0 CA-C-O 120.579 0.228 . . . . 0.0 111.139 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.613 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 20.8 p -101.13 179.47 4.36 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -60.19 -39.99 88.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 123.048 1.404 . . . . 0.0 111.064 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.93 -34.22 77.3 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 112.364 -2.198 . . . . 0.0 113.064 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.613 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 11.6 mm100 -77.95 -36.39 49.29 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.369 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 48.3 t -71.81 -36.82 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.719 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.713 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -54.41 -46.82 73.22 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 172.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.3 -27.07 69.08 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.0 pt20 -72.05 -49.28 37.96 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.456 ' O ' HD11 ' A' ' 29' ' ' LEU . 65.9 mt -66.67 -40.27 88.52 Favored 'General case' 0 N--CA 1.415 -2.186 0 CA-C-N 113.135 -1.848 . . . . 0.0 111.482 -176.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.54 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 15.8 m -58.5 -49.63 76.68 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 124.163 0.914 . . . . 0.0 109.603 177.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.513 ' HG2' ' HE3' ' A' ' 25' ' ' LYS . 35.9 tt0 -61.92 -43.19 99.36 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.939 -177.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 m -63.73 -45.84 88.09 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.466 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.31 -32.91 85.76 Favored Glycine 0 C--O 1.208 -1.486 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.806 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.7 mmmt -65.38 -31.6 72.8 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HE3' ' HG2' ' A' ' 21' ' ' GLU . 91.9 mttt -74.85 -42.26 58.29 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.848 0.832 . . . . 0.0 110.011 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -84.44 -49.72 8.41 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 122.54 1.162 . . . . 0.0 112.663 -173.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.93 8.89 41.2 Favored Glycine 0 N--CA 1.425 -2.056 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 -173.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.604 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.7 p -164.15 157.22 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.61 0 CA-C-N 115.23 -0.485 . . . . 0.0 110.427 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.456 HD11 ' O ' ' A' ' 19' ' ' LEU . 62.9 mt -151.06 142.05 23.01 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 124.694 1.198 . . . . 0.0 108.603 175.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.409 ' HA ' HG13 ' A' ' 63' ' ' ILE . 20.5 p -76.08 143.93 41.02 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 118.246 0.475 . . . . 0.0 110.015 171.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 38.2 m-85 -57.96 -35.36 71.05 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.89 0.376 . . . . 0.0 110.418 176.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.83 -33.41 66.16 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -174.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 30' ' ' THR . 12.9 pt-20 -74.35 -29.89 61.77 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 119.229 -0.989 . . . . 0.0 108.593 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.425 HG23 HD13 ' A' ' 19' ' ' LEU . 87.7 mt -67.71 -42.53 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.805 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.187 176.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -33.91 76.45 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 123.725 0.81 . . . . 0.0 110.551 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.97 -55.29 36.78 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.52 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -69.74 -27.42 64.94 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.366 0.603 . . . . 0.0 110.053 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.8 mmt -83.24 -0.37 49.16 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.074 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.8 t -80.47 -15.8 55.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.4 t -70.26 -23.99 62.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -104.06 -36.15 7.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.549 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 79.13 72.6 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 126.098 1.759 . . . . 0.0 109.714 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.4 mm -101.36 130.85 50.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.756 -1.565 . . . . 0.0 108.793 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.22 162.17 25.88 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.738 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 48' ' ' MET . 13.2 t -62.02 -25.69 67.8 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 120.802 0.334 . . . . 0.0 110.821 -176.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.75 -49.11 77.66 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.4 0.68 . . . . 0.0 110.157 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -79.08 -29.54 43.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.361 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.515 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 0.5 OUTLIER -61.36 -39.84 92.09 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.105 177.276 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.26 -39.88 76.51 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.462 0.705 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.12 -30.74 68.0 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.642 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -71.1 -35.79 71.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.08 -39.48 92.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.905 0.384 . . . . 0.0 110.985 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 38.0 tt0 -63.34 -45.9 89.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.511 175.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 44.9 t80 -55.53 -49.96 71.26 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.321 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.7 mt -57.11 -42.4 80.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.374 178.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.63 -40.65 99.04 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.782 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 52.0 mt-10 -65.2 -32.59 74.34 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 120.875 0.369 . . . . 0.0 111.709 178.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 28.2 mm-40 -77.93 -42.33 33.41 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.06 49.4 0.08 OUTLIER Glycine 0 C--N 1.308 -1.005 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.564 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 22.0 t -130.78 130.31 64.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.604 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 43.3 mt-10 -94.64 143.86 26.09 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 173.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.71 119.67 39.95 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 119.454 -0.899 . . . . 0.0 111.363 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 30' ' ' THR . 9.4 pt . . . . . 0 C--N 1.306 -1.286 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 175.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.575 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.423 -1.804 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.434 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 64.6 p -98.88 177.44 5.27 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -60.93 -39.3 88.93 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 122.456 1.122 . . . . 0.0 110.457 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.458 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 57.7 m-20 -64.69 -40.11 94.82 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 112.76 -2.018 . . . . 0.0 112.543 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 19.8 mm-40 -74.87 -35.21 62.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.33 0.586 . . . . 0.0 110.177 -176.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 78.1 t -71.25 -39.93 73.48 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.294 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 46.6 mtmt -56.46 -47.18 79.71 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.78 -26.19 68.52 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.3 pt20 -70.75 -48.69 53.1 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-O 122.732 1.253 . . . . 0.0 107.995 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.467 ' O ' HD11 ' A' ' 29' ' ' LEU . 49.4 mt -67.25 -41.78 85.02 Favored 'General case' 0 N--CA 1.407 -2.582 0 CA-C-N 112.899 -1.955 . . . . 0.0 111.964 -177.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 21.1 m -57.86 -53.13 61.73 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 124.007 0.817 . . . . 0.0 110.432 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.0 tt0 -64.06 -40.2 95.76 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 123.667 0.605 . . . . 0.0 111.074 -174.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 59.4 m -62.54 -43.95 97.54 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.305 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.76 -35.25 89.44 Favored Glycine 0 C--O 1.211 -1.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.813 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 20' ' ' THR . 25.7 mmmt -63.05 -36.4 83.45 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 124.033 0.49 . . . . 0.0 111.337 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.6 mtpp -75.45 -40.94 56.88 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 121.499 0.666 . . . . 0.0 110.902 -178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 22' ' ' SER . 91.7 mtt180 -80.17 -50.46 10.25 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 122.307 1.051 . . . . 0.0 111.004 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.1 1.12 30.0 Favored Glycine 0 N--CA 1.419 -2.461 0 CA-C-N 113.496 -1.684 . . . . 0.0 109.264 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.419 HG21 HG23 ' A' ' 63' ' ' ILE . 7.6 p -162.25 155.3 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 CA-C-O 120.697 0.284 . . . . 0.0 110.996 -174.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 19' ' ' LEU . 50.2 mt -142.06 147.97 37.67 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.497 1.119 . . . . 0.0 109.009 175.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.458 HG22 HG13 ' A' ' 63' ' ' ILE . 43.5 p -79.25 151.36 31.21 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 171.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -64.73 -37.82 88.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.587 0.708 . . . . 0.0 109.848 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.77 -27.46 55.31 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -172.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.44 -30.65 64.78 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.473 ' O ' ' HG2' ' A' ' 38' ' ' MET . 92.3 mt -67.89 -41.38 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.803 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.0 84.08 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 124.138 0.975 . . . . 0.0 110.247 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.67 -44.2 93.68 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.023 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mmt-85 -69.46 -31.28 69.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 122.164 -0.335 . . . . 0.0 111.032 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -82.81 1.28 39.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.465 -176.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -74.5 -11.89 60.34 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.05 0.452 . . . . 0.0 111.202 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.0 p -80.14 -27.43 39.08 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.819 0.819 . . . . 0.0 109.473 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -98.54 -168.12 1.6 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.669 -1.151 . . . . 0.0 107.936 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -124.66 81.4 1.94 Allowed 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.473 HG22 ' HG2' ' A' ' 48' ' ' MET . 32.1 mm -107.02 116.87 51.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.81 0.814 . . . . 0.0 111.087 -173.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -78.41 161.56 27.06 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.205 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.7 m -57.2 -32.43 66.47 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 123.583 0.753 . . . . 0.0 112.696 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.89 -41.94 86.35 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.239 0.542 . . . . 0.0 109.936 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -67.23 -39.63 86.24 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.039 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.473 ' HG2' HG22 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -64.47 -43.62 93.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.473 177.211 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.17 -44.75 79.64 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.102 0.561 . . . . 0.0 110.796 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -61.08 -38.34 85.9 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.549 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -69.92 -39.92 75.86 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.759 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -61.18 -44.56 97.11 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 121.132 0.491 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.91 -40.05 91.12 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.07 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.502 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 38.9 t80 -56.75 -49.63 74.67 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.165 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.505 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.0 mt -57.72 -45.67 85.44 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.48 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.7 -42.4 91.12 Favored Glycine 0 CA--C 1.507 -0.439 0 CA-C-N 114.308 -1.314 . . . . 0.0 111.261 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -64.88 -34.48 78.48 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 75.2 mm-40 -79.85 -38.92 31.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.402 -178.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.87 40.35 0.1 OUTLIER Glycine 0 C--N 1.301 -1.383 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.17 172.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.505 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 41.8 t -126.49 127.27 70.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -90.24 166.08 13.55 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 58.3 mt -125.07 115.75 21.0 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.134 0.492 . . . . 0.0 111.832 -174.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 30' ' ' THR . 16.0 pt . . . . . 0 C--N 1.299 -1.629 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.434 -1.245 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.65 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 14.6 p -100.93 172.54 6.97 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -62.39 -36.32 81.96 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.217 1.008 . . . . 0.0 110.618 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.85 -40.62 95.45 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.659 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.65 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 11.1 mm100 -71.73 -37.44 70.61 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -174.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 65.8 t -72.82 -37.28 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 CA-C-N 114.66 -1.154 . . . . 0.0 108.961 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -55.47 -49.58 72.11 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.167 172.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.73 -27.31 69.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.3 pt20 -71.54 -49.78 37.46 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.469 HD13 HG23 ' A' ' 34' ' ' ILE . 24.9 mt -67.48 -39.84 85.25 Favored 'General case' 0 N--CA 1.408 -2.529 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.555 -178.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.477 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 18.3 m -57.95 -51.95 67.51 Favored 'General case' 0 C--N 1.315 -0.922 0 O-C-N 123.723 0.64 . . . . 0.0 109.734 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 35.1 tt0 -63.32 -40.92 98.66 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.473 0.654 . . . . 0.0 110.592 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 m -64.13 -41.34 97.25 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.161 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.52 -34.87 85.5 Favored Glycine 0 C--O 1.199 -2.087 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 20' ' ' THR . 28.4 mmmt -66.58 -29.23 69.24 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 29.2 mtpp -75.69 -37.93 59.08 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.431 0.634 . . . . 0.0 110.514 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -86.98 -47.17 9.18 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 114.975 -1.011 . . . . 0.0 113.046 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.49 -0.05 46.51 Favored Glycine 0 N--CA 1.422 -2.267 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -172.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.1 p -157.54 159.23 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 0 CA-C-N 115.291 -0.455 . . . . 0.0 111.004 -172.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 59.7 mt -153.4 139.24 18.04 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 125.071 1.348 . . . . 0.0 107.982 174.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.659 HG22 HG13 ' A' ' 63' ' ' ILE . 48.1 p -79.77 147.29 31.91 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -55.3 -41.65 72.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -85.62 -11.94 52.67 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -172.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.2 pt-20 -80.49 -27.91 37.66 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.469 HG23 HD13 ' A' ' 19' ' ' LEU . 84.6 mt -69.09 -41.94 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 CA-C-N 114.036 -1.438 . . . . 0.0 108.255 175.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.75 -31.16 70.89 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 124.417 1.087 . . . . 0.0 110.617 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.63 -50.53 72.2 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 124.306 1.043 . . . . 0.0 109.243 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -68.34 -32.31 72.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.865 0.84 . . . . 0.0 108.79 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 22.6 mmt -81.67 1.24 35.06 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.63 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.1 m -76.39 -16.1 59.79 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -68.98 -33.98 74.56 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' HB2' HG12 ' A' ' 43' ' ' ILE . 38.3 m-85 -98.39 -19.52 17.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.537 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 57.47 62.51 2.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.489 1.137 . . . . 0.0 110.061 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.55 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 39.5 mm -72.47 140.09 18.57 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.135 -175.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -73.05 156.13 39.08 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.037 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.7 t -58.6 -31.39 68.01 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.054 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.91 -57.15 14.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.301 1.04 . . . . 0.0 109.857 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.55 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 9.1 mt-30 -67.22 -33.06 74.57 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.854 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.579 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.4 mmt -64.41 -47.87 77.54 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.21 -43.59 87.74 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.772 0.829 . . . . 0.0 110.421 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -55.9 -46.95 78.23 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.996 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 55' ' ' LEU . 21.2 t80 -69.24 -34.81 75.39 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.722 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -62.47 -43.53 98.6 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.887 0.375 . . . . 0.0 111.12 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.4 tp10 -64.11 -40.28 95.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.471 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 51.9 t80 -58.94 -51.44 70.05 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.398 177.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 80.9 mt -58.16 -42.62 86.37 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.147 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.52 -42.48 95.97 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.552 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 46.2 mt-10 -66.03 -30.5 71.05 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 26.9 mm-40 -75.75 -47.3 26.53 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.47 54.52 0.06 OUTLIER Glycine 0 C--N 1.301 -1.396 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.431 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.9 t -139.51 126.01 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -176.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -96.54 128.69 43.72 Favored 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mm? -92.08 103.76 16.22 Favored 'General case' 0 C--N 1.266 -3.061 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.125 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.659 HG13 HG22 ' A' ' 30' ' ' THR . 31.0 pt . . . . . 0 C--N 1.312 -1.052 0 CA-C-O 121.544 0.688 . . . . 0.0 111.853 178.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.432 -1.338 0 CA-C-O 121.081 0.467 . . . . 0.0 110.777 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.522 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 76.1 p -101.17 176.28 5.31 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.339 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.494 ' HE1' HD13 ' A' ' 43' ' ' ILE . 49.5 t80 -61.9 -39.5 92.19 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 122.561 1.172 . . . . 0.0 110.768 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.451 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 4.1 m-20 -65.34 -36.58 84.47 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.04 -1.891 . . . . 0.0 112.801 175.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.522 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 26.6 mm-40 -75.18 -35.72 61.54 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-O 121.152 0.501 . . . . 0.0 110.304 -177.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 10' ' ' LEU . 47.9 t -71.07 -39.51 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.519 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 41.9 mtmt -55.09 -52.11 64.26 Favored 'General case' 0 N--CA 1.42 -1.952 0 O-C-N 123.804 0.69 . . . . 0.0 109.449 171.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 13' ' ' ASP . 45.2 mt-10 -62.67 -26.08 68.47 Favored 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -69.05 -57.07 5.92 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 29' ' ' LEU . 20.3 mt -63.78 -37.68 88.27 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 113.265 -1.789 . . . . 0.0 111.603 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.5 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 12.2 m -60.76 -51.33 69.78 Favored 'General case' 0 N--CA 1.423 -1.785 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.323 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 11.8 tp10 -59.7 -46.02 90.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.499 0.666 . . . . 0.0 110.179 -175.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 m -66.35 -45.33 80.57 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.828 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.13 91.62 Favored Glycine 0 C--O 1.205 -1.684 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 26.1 mmmt -63.91 -34.02 77.01 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.098 -0.551 . . . . 0.0 111.867 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 57.9 mtpt -76.73 -40.71 47.71 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.664 0.745 . . . . 0.0 110.175 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -75.89 -48.41 21.46 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.132 -176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.24 -0.68 47.1 Favored Glycine 0 N--CA 1.42 -2.381 0 CA-C-N 113.165 -1.834 . . . . 0.0 108.588 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.4 HG22 HG12 ' A' ' 63' ' ' ILE . 7.7 p -158.79 158.52 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.185 0 CA-C-N 115.34 -0.43 . . . . 0.0 110.833 -172.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.439 HD11 ' O ' ' A' ' 19' ' ' LEU . 46.7 mt -148.57 136.97 21.25 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 124.62 1.168 . . . . 0.0 108.77 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.49 HG22 HG13 ' A' ' 63' ' ' ILE . 27.4 p -75.68 140.19 42.36 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 118.18 0.446 . . . . 0.0 110.874 173.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -50.02 -39.95 43.17 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.2 -29.88 60.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.069 -0.652 . . . . 0.0 112.542 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.6 pt-20 -75.71 -28.98 58.81 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 119.186 -1.006 . . . . 0.0 108.297 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.463 HD11 HD12 ' A' ' 62' ' ' LEU . 71.8 mt -65.31 -44.16 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.734 175.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.91 69.28 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 123.821 0.848 . . . . 0.0 110.939 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.57 -54.29 47.24 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 124.422 1.089 . . . . 0.0 111.349 -173.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -70.0 -25.99 63.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.615 0.721 . . . . 0.0 109.399 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.526 ' SD ' HD11 ' A' ' 43' ' ' ILE . 22.5 mmt -85.06 -6.57 59.31 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.852 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.7 m -67.64 -14.04 62.6 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.8 t -75.63 -33.18 60.49 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -89.23 -43.64 10.84 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.647 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 62.29 78.81 0.28 Allowed 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.826 1.298 . . . . 0.0 108.544 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.526 HD11 ' SD ' ' A' ' 38' ' ' MET . 29.7 mt -86.42 155.79 3.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 113.435 -1.712 . . . . 0.0 110.446 -171.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.08 155.54 39.35 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 173.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -61.05 -30.32 70.25 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.296 0.569 . . . . 0.0 109.63 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.62 -54.69 34.05 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 124.628 1.171 . . . . 0.0 110.934 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 5.3 mt-30 -70.62 -31.08 67.91 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.837 -176.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.537 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 1.0 OUTLIER -62.61 -50.6 70.63 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.657 179.419 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -64.71 -38.11 89.86 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.594 0.559 . . . . 0.0 109.925 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.97 -43.39 91.36 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 115.338 -0.847 . . . . 0.0 108.864 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -69.79 -38.7 76.77 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.828 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.58 -44.36 97.17 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.238 0.542 . . . . 0.0 110.734 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.12 -40.01 93.9 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.526 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.544 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 43.0 t80 -58.76 -51.14 71.25 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.26 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.7 mt -57.24 -41.72 80.09 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.047 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.63 -40.12 97.48 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.589 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.98 -35.69 81.99 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 26.1 mm-40 -76.25 -48.42 20.32 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -175.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.06 44.08 0.05 OUTLIER Glycine 0 C--N 1.305 -1.161 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.624 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.9 t -129.71 131.68 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -93.81 138.46 31.95 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.463 HD12 HD11 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -99.74 110.24 22.64 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.598 178.154 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.49 HG13 HG22 ' A' ' 30' ' ' THR . 12.2 pt . . . . . 0 CA--C 1.488 -1.427 0 CA-C-O 122.625 1.203 . . . . 0.0 113.864 -178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.426 -1.672 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.507 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 80.8 p -100.38 173.39 6.61 Favored 'General case' 0 N--CA 1.42 -1.975 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -59.83 -37.36 79.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.819 1.295 . . . . 0.0 110.595 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.479 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 23.8 t0 -64.16 -41.44 97.16 Favored 'General case' 0 CA--C 1.489 -1.387 0 CA-C-N 112.377 -2.192 . . . . 0.0 111.213 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.507 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 24.1 mm-40 -76.42 -33.7 58.8 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.059 -174.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.574 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.1 t -71.83 -38.99 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.638 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HB2' ' HZ2' ' A' ' 16' ' ' LYS . 8.4 mtmp? -56.73 -46.15 81.49 Favored 'General case' 0 N--CA 1.414 -2.25 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.65 -27.99 69.61 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.3 pt20 -70.14 -47.78 60.26 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' O ' HD11 ' A' ' 29' ' ' LEU . 59.2 mt -66.57 -44.76 81.4 Favored 'General case' 0 N--CA 1.409 -2.523 0 CA-C-N 113.24 -1.8 . . . . 0.0 111.743 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 19.7 m -57.78 -52.65 64.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.221 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 11.0 tp10 -61.66 -43.36 99.0 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 123.84 0.712 . . . . 0.0 109.888 -174.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 19.8 m -62.65 -47.19 84.79 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.856 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.57 -36.02 92.64 Favored Glycine 0 C--O 1.21 -1.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.333 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 20' ' ' THR . 22.0 mmmt -62.83 -34.41 77.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.435 -0.382 . . . . 0.0 111.188 177.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.8 mtpp -74.86 -42.99 56.86 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.308 0.575 . . . . 0.0 110.356 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 22' ' ' SER . 96.4 mtt180 -78.07 -47.05 19.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 122.522 1.153 . . . . 0.0 111.26 -174.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.12 6.46 45.33 Favored Glycine 0 N--CA 1.424 -2.113 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.985 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.417 HG21 HG23 ' A' ' 63' ' ' ILE . 9.0 p -164.74 160.87 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.704 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.492 HD11 ' O ' ' A' ' 19' ' ' LEU . 23.7 mt -148.83 146.72 28.11 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.988 1.315 . . . . 0.0 109.574 176.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.435 ' HA ' HG13 ' A' ' 63' ' ' ILE . 54.3 p -80.48 146.06 31.56 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -61.11 -38.63 87.01 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.62 0.724 . . . . 0.0 109.42 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -64.17 -43.06 96.31 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.424 -1.262 . . . . 0.0 113.556 -173.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.97 -27.6 62.88 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.537 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' A' ' 38' ' ' MET . 97.3 mt -67.7 -42.5 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.228 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.223 177.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.89 78.47 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.755 0.788 . . . . 0.0 109.778 177.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.83 -46.95 87.64 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 125.462 1.505 . . . . 0.0 111.304 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 6.3 mmt180 -72.32 -29.72 64.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.172 0.51 . . . . 0.0 111.091 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.6 mmt -83.81 2.8 36.46 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.117 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -78.77 -11.85 60.0 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.7 t -71.42 -37.16 71.49 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 172.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.592 ' HB2' HG12 ' A' ' 43' ' ' ILE . 32.4 m-85 -95.46 -172.29 2.6 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.187 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -115.71 34.01 5.17 Favored 'General case' 0 C--N 1.263 -3.171 0 C-N-CA 125.023 1.329 . . . . 0.0 109.59 -174.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.592 HG12 ' HB2' ' A' ' 41' ' ' PHE . 30.6 mm -68.43 120.98 16.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.551 -175.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.99 165.63 20.53 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.609 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -59.42 -35.89 74.85 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 123.152 0.581 . . . . 0.0 110.559 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.15 -41.44 92.78 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.747 0.784 . . . . 0.0 110.031 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.424 ' HB2' HG23 ' A' ' 43' ' ' ILE . 16.9 mt-30 -79.42 -29.95 42.13 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.329 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.539 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -65.74 -45.1 83.86 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.307 174.322 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.74 -41.28 70.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.715 0.806 . . . . 0.0 110.714 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.63 -44.88 90.15 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.433 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -69.54 -36.3 76.24 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.476 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -60.99 -44.16 97.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 0.0 111.883 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.84 -37.56 84.71 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.999 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -57.94 -51.09 71.07 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.559 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 82.0 mt -56.64 -43.14 79.99 Favored 'General case' 0 C--O 1.249 1.046 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.683 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.34 93.52 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.451 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.25 -37.86 88.53 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -77.46 -36.24 53.12 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -175.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.04 47.63 0.09 OUTLIER Glycine 0 C--N 1.295 -1.743 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.716 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 50.9 t -133.12 125.43 51.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 40.1 mt-10 -87.35 165.19 15.79 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 123.144 0.278 . . . . 0.0 110.278 174.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.8 mt -121.91 117.68 27.05 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.395 0.617 . . . . 0.0 112.424 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.435 HG13 ' HA ' ' A' ' 30' ' ' THR . 22.5 pt . . . . . 0 C--N 1.306 -1.315 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.59 174.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.432 -1.37 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 65.2 p -96.4 175.76 6.3 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -64.62 -38.29 90.5 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-O 122.123 0.963 . . . . 0.0 110.857 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.38 -40.34 96.15 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 113.408 -1.724 . . . . 0.0 111.057 174.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 32.1 mm-40 -72.84 -37.67 67.35 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.491 -176.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.634 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 72.6 t -71.72 -41.77 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.322 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -177.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -56.34 -47.3 79.07 Favored 'General case' 0 N--CA 1.424 -1.73 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.821 173.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.88 -29.17 70.56 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 1.6 pt20 -69.93 -48.52 58.19 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.497 ' O ' HD11 ' A' ' 29' ' ' LEU . 43.4 mt -67.02 -41.25 86.96 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-N 113.277 -1.783 . . . . 0.0 111.783 -177.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 21.8 m -57.31 -53.36 58.95 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 124.021 0.826 . . . . 0.0 110.008 178.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.92 -41.5 97.64 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.656 0.741 . . . . 0.0 110.998 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -64.08 -44.57 91.98 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 114.656 -1.157 . . . . 0.0 110.456 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.64 -34.62 89.49 Favored Glycine 0 C--O 1.201 -1.935 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.436 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.9 mmmt -65.22 -34.1 77.58 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.37 -40.3 62.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.468 0.651 . . . . 0.0 110.133 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 mtp180 -82.19 -54.16 5.49 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 122.696 1.236 . . . . 0.0 111.766 -176.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.41 1.49 29.46 Favored Glycine 0 N--CA 1.416 -2.684 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.129 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.438 HG22 HG12 ' A' ' 63' ' ' ILE . 7.4 p -157.1 156.26 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.705 0 CA-C-O 120.568 0.223 . . . . 0.0 111.292 -172.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 61.5 mt -150.27 134.14 16.83 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 124.87 1.268 . . . . 0.0 108.399 174.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.626 HG22 HG13 ' A' ' 63' ' ' ILE . 46.4 p -72.92 144.71 47.23 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 118.105 0.411 . . . . 0.0 110.254 173.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -55.17 -38.83 68.82 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.467 0.651 . . . . 0.0 110.796 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -80.05 -24.07 40.96 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.4 pt-20 -76.32 -27.05 56.38 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 118.391 -1.324 . . . . 0.0 107.778 176.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.435 ' O ' ' HG2' ' A' ' 38' ' ' MET . 96.1 mt -70.48 -40.42 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.617 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -35.74 76.74 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 124.235 1.014 . . . . 0.0 110.613 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.49 -46.8 85.93 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.314 -174.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -72.42 -30.54 64.72 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.437 0.637 . . . . 0.0 109.349 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 22.0 mmt -83.11 -1.66 53.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.002 -177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -75.06 -14.5 60.6 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 120.975 0.417 . . . . 0.0 110.31 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 m -73.36 -27.19 61.35 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.469 ' HB2' HG12 ' A' ' 43' ' ' ILE . 27.2 m-85 -100.32 -159.06 0.71 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.299 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -129.53 39.86 3.67 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.724 0.774 . . . . 0.0 109.307 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.469 HG12 ' HB2' ' A' ' 41' ' ' PHE . 39.6 mm -71.06 121.41 20.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.295 -175.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -75.86 163.13 27.53 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.072 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -66.08 -29.19 69.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.181 -0.304 . . . . 0.0 110.181 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.37 -30.93 67.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.08 0.467 . . . . 0.0 110.319 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.73 -32.55 57.87 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.797 0.808 . . . . 0.0 109.03 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.528 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -66.17 -39.88 90.09 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.532 173.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.27 -44.49 95.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.434 0.693 . . . . 0.0 111.845 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.49 -33.43 75.92 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.884 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -70.33 -37.2 74.63 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.96 -41.45 98.01 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.379 0.609 . . . . 0.0 109.989 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.1 tp10 -62.57 -43.57 98.49 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.92 177.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.06 -50.86 72.46 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.603 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.495 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 83.5 mt -57.59 -40.87 79.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.772 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.4 -40.12 98.21 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.715 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 47.4 mt-10 -63.86 -35.18 79.8 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 116.93 0.365 . . . . 0.0 111.814 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 26.6 mm-40 -77.56 -46.52 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.17 55.46 0.07 OUTLIER Glycine 0 C--N 1.3 -1.455 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.942 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 31.3 t -133.23 127.37 54.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -90.07 134.05 34.48 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mm? -98.4 106.75 19.07 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.345 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.626 HG13 HG22 ' A' ' 30' ' ' THR . 15.2 pt . . . . . 0 C--O 1.212 -0.875 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.409 -2.518 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.6 p -99.78 175.51 5.77 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -60.84 -39.55 89.5 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 122.358 1.075 . . . . 0.0 110.846 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.4 -39.1 93.21 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 113.299 -1.773 . . . . 0.0 112.049 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CB ' ' HB3' ' A' ' 10' ' ' LEU . 16.5 mm100 -72.02 -37.65 69.74 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.545 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 58.0 t -71.99 -42.31 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.153 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -55.22 -48.06 74.42 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.045 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.65 -31.11 71.2 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 176.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 6.7 pt20 -69.99 -48.4 58.33 Favored 'General case' 0 C--N 1.365 1.276 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.459 ' O ' HD11 ' A' ' 29' ' ' LEU . 20.1 mt -65.64 -40.0 92.04 Favored 'General case' 0 N--CA 1.416 -2.136 0 CA-C-N 113.603 -1.635 . . . . 0.0 111.607 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.436 ' OG1' ' HE2' ' A' ' 54' ' ' PHE . 17.0 m -59.78 -53.0 63.08 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.601 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 36.8 tt0 -64.5 -40.65 96.04 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.737 0.779 . . . . 0.0 110.717 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.8 m -68.55 -38.85 81.15 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.845 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.06 -33.74 87.95 Favored Glycine 0 C--O 1.205 -1.719 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 20' ' ' THR . 23.8 mmmt -65.93 -34.33 77.88 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 124.12 0.541 . . . . 0.0 112.123 176.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.7 mtpp -74.99 -40.24 60.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-O 121.91 0.862 . . . . 0.0 109.341 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.48 HH11 ' HD3' ' A' ' 26' ' ' ARG . 45.7 mtt180 -76.78 -46.89 23.37 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.351 -177.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 13.32 54.5 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 -174.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.557 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 14.7 p -172.1 156.96 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 114.433 -0.883 . . . . 0.0 109.236 -174.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.459 HD11 ' O ' ' A' ' 19' ' ' LEU . 34.9 mt -144.17 136.75 26.87 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 122.966 0.507 . . . . 0.0 109.797 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.571 HG22 HG13 ' A' ' 63' ' ' ILE . 37.1 p -76.64 136.41 39.17 Favored 'General case' 0 N--CA 1.425 -1.697 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 172.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -55.54 -38.01 68.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.818 0.447 . . . . 0.0 111.031 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 38.4 mt-10 -74.28 -21.48 59.73 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.301 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.1 -45.14 35.42 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.423 ' O ' ' HG2' ' A' ' 38' ' ' MET . 69.8 mt -58.32 -47.36 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.376 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.22 75.79 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 124.186 0.994 . . . . 0.0 111.609 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 33.7 tt0 -63.33 -43.91 96.41 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.013 -172.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.72 -26.98 63.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.6 mmt -83.47 -3.46 57.61 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.369 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 m -74.75 -8.57 56.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.429 0.633 . . . . 0.0 110.099 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -75.49 -21.0 58.4 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -114.6 -162.93 0.84 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.446 -1.252 . . . . 0.0 107.659 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -129.78 80.38 1.96 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 122.614 1.197 . . . . 0.0 108.221 175.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.407 HG23 HE21 ' A' ' 47' ' ' GLN . 33.9 mm -101.74 117.24 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.998 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.409 -174.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -71.68 155.19 40.77 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 113.715 -1.584 . . . . 0.0 109.339 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.7 m -60.11 -30.37 69.22 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.866 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -69.88 -34.63 73.8 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.143 0.497 . . . . 0.0 110.317 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.407 HE21 HG23 ' A' ' 43' ' ' ILE . 15.4 mt-30 -74.94 -29.19 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.707 0.765 . . . . 0.0 109.444 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.503 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -69.85 -40.32 75.87 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.495 173.209 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 22.8 t70 -58.29 -42.78 87.35 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.735 0.814 . . . . 0.0 112.569 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.13 -33.41 75.38 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.44 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -69.73 -36.87 76.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 20.8 m-85 -59.73 -41.61 91.3 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.025 0.44 . . . . 0.0 110.645 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 6.4 tp10 -62.82 -42.9 99.92 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.858 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.436 ' HE2' ' OG1' ' A' ' 20' ' ' THR . 35.9 t80 -59.34 -49.41 77.93 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.556 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 75.7 mt -57.02 -44.71 83.12 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.788 178.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.73 -38.8 92.64 Favored Glycine 0 C--O 1.242 0.602 0 CA-C-N 114.299 -1.319 . . . . 0.0 111.569 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 8.4 mm-40 -64.67 -36.24 83.63 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 123.251 0.62 . . . . 0.0 112.34 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -76.14 -35.7 59.1 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.68 33.48 0.48 Allowed Glycine 0 C--N 1.294 -1.781 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.692 176.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.3 t -115.25 126.88 72.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 45.5 mt-10 -95.03 139.87 30.78 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.417 HD12 HD11 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -103.66 123.29 46.72 Favored 'General case' 0 C--N 1.279 -2.469 0 C-N-CA 119.153 -1.019 . . . . 0.0 112.748 -177.357 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.571 HG13 HG22 ' A' ' 30' ' ' THR . 24.9 pt . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 174.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.1 OUTLIER . . . . . 0 CA--C 1.491 -1.316 0 N-CA-C 110.251 -0.278 . . . . 0.0 110.251 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.597 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 21.0 p -95.83 175.08 6.64 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -177.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -60.8 -38.89 86.89 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-O 122.478 1.132 . . . . 0.0 109.975 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 12.6 m-20 -67.93 -36.37 80.03 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 112.977 -1.92 . . . . 0.0 113.255 174.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.597 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 15.9 mm100 -73.36 -37.22 66.14 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 76.5 t -72.55 -40.4 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.666 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.987 -178.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -56.48 -46.32 80.5 Favored 'General case' 0 N--CA 1.422 -1.86 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 13' ' ' ASP . 50.4 mt-10 -63.16 -28.02 69.77 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.8 pt20 -71.76 -50.66 28.05 Favored 'General case' 0 C--N 1.372 1.553 0 CA-C-O 122.184 0.992 . . . . 0.0 108.395 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.479 ' O ' HD11 ' A' ' 29' ' ' LEU . 52.3 mt -66.04 -40.54 91.09 Favored 'General case' 0 N--CA 1.41 -2.457 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.547 -176.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.7 m -58.49 -50.11 74.93 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.207 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -62.67 -43.54 98.54 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.004 0.907 . . . . 0.0 108.814 -175.322 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 m -65.87 -44.64 84.81 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.072 -1.422 . . . . 0.0 111.341 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.47 -34.49 90.1 Favored Glycine 0 C--O 1.207 -1.563 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -67.75 -29.34 68.53 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.434 -0.883 . . . . 0.0 113.307 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.9 mtpp -74.16 -43.72 56.3 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.613 0.72 . . . . 0.0 110.035 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -85.75 -51.92 6.12 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.949 -173.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.18 14.11 19.48 Favored Glycine 0 N--CA 1.426 -1.991 0 CA-C-N 113.657 -1.61 . . . . 0.0 109.586 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 7.1 p -168.63 155.66 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 115.505 -0.347 . . . . 0.0 110.514 -175.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 53.2 mt -148.44 138.63 22.52 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 124.746 1.218 . . . . 0.0 108.427 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.591 HG22 HG13 ' A' ' 63' ' ' ILE . 39.7 p -75.02 141.99 43.85 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 118.108 0.413 . . . . 0.0 110.405 173.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -55.38 -43.11 74.85 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.145 0.497 . . . . 0.0 110.288 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.06 -33.9 76.51 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.994 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.5 pt-20 -74.05 -28.64 61.5 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 118.533 -1.267 . . . . 0.0 108.957 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 38' ' ' MET . 88.4 mt -68.57 -43.79 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.979 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.768 175.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.93 85.67 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 124.366 1.067 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -59.8 -49.58 77.14 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.376 1.07 . . . . 0.0 111.683 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -67.97 -31.73 71.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.477 0.656 . . . . 0.0 110.166 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.3 mmt -81.43 -4.98 57.4 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.136 -177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.1 m -73.05 -16.64 61.48 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.845 0.355 . . . . 0.0 110.44 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 m -75.56 -29.11 59.26 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.452 ' HB2' HG12 ' A' ' 43' ' ' ILE . 35.4 m-85 -95.25 -21.15 18.63 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.688 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 66.48 68.57 0.43 Allowed 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 124.543 1.152 . . . . 0.0 108.986 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.452 HG12 ' HB2' ' A' ' 41' ' ' PHE . 33.3 mm -95.48 119.94 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.161 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.933 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -65.13 149.75 49.35 Favored 'General case' 0 C--N 1.277 -2.549 0 CA-C-N 114.067 -1.424 . . . . 0.0 110.561 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 48' ' ' MET . 38.4 m -55.16 -31.1 61.08 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 124.013 0.925 . . . . 0.0 110.295 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.31 -48.04 77.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.771 1.228 . . . . 0.0 109.729 176.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.45 HE21 HG23 ' A' ' 43' ' ' ILE . 11.2 mt-30 -81.47 -27.16 34.73 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.679 -178.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -60.34 -40.49 90.88 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.413 176.32 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.53 -42.3 78.23 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.185 0.594 . . . . 0.0 109.93 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.93 -43.24 91.14 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.422 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.33 -35.89 73.91 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.153 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.0 -44.32 97.6 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.0 0.428 . . . . 0.0 111.11 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.89 -36.2 81.73 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.173 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -59.17 -49.52 77.54 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 98.4 mt -58.52 -36.59 74.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.395 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.29 98.82 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.016 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -64.65 -33.57 76.24 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 120.948 0.404 . . . . 0.0 111.56 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -77.47 -38.77 48.5 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.63 51.98 0.2 Allowed Glycine 0 C--N 1.304 -1.241 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.314 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.1 t -132.7 124.97 51.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 42.7 mt-10 -89.86 139.53 30.5 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 174.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -101.06 117.58 35.31 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.674 -178.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.591 HG13 HG22 ' A' ' 30' ' ' THR . 16.4 pt . . . . . 0 CA--C 1.491 -1.317 0 CA-C-O 122.313 1.054 . . . . 0.0 113.579 178.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.429 -1.517 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.542 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 47.0 p -97.95 177.51 5.41 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -62.07 -39.85 93.8 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 122.635 1.207 . . . . 0.0 110.551 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.49 -40.32 95.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 112.702 -2.044 . . . . 0.0 110.591 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.55 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 9.8 mm-40 -74.73 -36.87 62.65 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.265 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.7 t -69.8 -38.29 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.511 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -177.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -56.36 -41.46 76.2 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.461 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.65 -33.44 75.93 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.6 pt20 -70.46 -46.96 62.79 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-O 122.114 0.959 . . . . 0.0 108.883 -174.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' HD11 ' A' ' 29' ' ' LEU . 42.8 mt -66.38 -38.39 87.43 Favored 'General case' 0 N--CA 1.408 -2.531 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 15.7 m -59.09 -52.36 66.06 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.587 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.81 -45.39 94.62 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.933 0.873 . . . . 0.0 110.086 -174.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.1 m -64.56 -46.25 83.59 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.408 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.76 -36.77 93.51 Favored Glycine 0 C--O 1.205 -1.716 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.758 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.3 mmmt -63.7 -36.24 83.19 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.955 0.502 . . . . 0.0 111.756 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.09 -40.43 65.01 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-O 121.265 0.555 . . . . 0.0 110.298 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -81.59 -51.85 7.8 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.956 0.884 . . . . 0.0 112.051 -175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.57 -4.16 27.84 Favored Glycine 0 N--CA 1.425 -2.065 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.098 -173.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -155.38 153.38 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.963 0 CA-C-O 121.19 0.519 . . . . 0.0 111.336 -172.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.418 HD11 ' O ' ' A' ' 19' ' ' LEU . 73.8 mt -141.38 144.73 34.67 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.168 174.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.574 HG22 HG13 ' A' ' 63' ' ' ILE . 41.5 p -84.03 150.44 25.6 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -63.15 -35.04 78.95 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 122.292 -0.255 . . . . 0.0 111.547 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -72.97 -29.67 63.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 119.835 -0.746 . . . . 0.0 112.594 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.8 pt-20 -75.61 -30.32 59.52 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.441 -0.903 . . . . 0.0 108.714 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.429 ' O ' ' HG2' ' A' ' 38' ' ' MET . 84.8 mt -69.74 -40.73 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.078 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.37 80.67 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.065 0.946 . . . . 0.0 110.13 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.02 -52.08 67.0 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.179 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -70.95 -29.33 65.31 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.3 mmt -83.58 -0.22 49.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.595 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 t -74.2 -17.23 60.93 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.338 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 p -73.06 -27.66 61.87 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 174.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -103.99 -172.03 2.04 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.42 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -125.04 93.27 3.84 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 172.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.8 mm -109.82 122.29 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.994 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.855 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -76.79 164.4 25.87 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.562 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -62.81 -29.46 70.74 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 123.324 0.65 . . . . 0.0 110.041 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.57 -54.19 48.4 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.143 0.973 . . . . 0.0 108.689 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -64.76 -38.78 92.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.618 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.6 OUTLIER -58.17 -46.41 85.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.275 179.067 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.38 -40.53 94.69 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.108 0.48 . . . . 0.0 110.513 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -60.33 -41.33 93.3 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.419 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -68.82 -38.86 80.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.9 -41.54 98.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.317 0.58 . . . . 0.0 110.415 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.18 -44.24 95.97 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.102 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 45.0 t80 -56.48 -52.24 65.44 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.444 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 89.1 mt -57.24 -43.88 83.32 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.771 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.36 -40.57 94.32 Favored Glycine 0 N--CA 1.453 -0.218 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.68 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.17 -33.1 74.99 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 67.0 mm-40 -79.09 -43.54 23.92 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.53 49.33 0.06 OUTLIER Glycine 0 CA--C 1.484 -1.897 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.883 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.7 t -133.29 122.26 44.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -88.7 136.74 32.84 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.44 106.68 18.27 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.453 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.574 HG13 HG22 ' A' ' 30' ' ' THR . 32.1 pt . . . . . 0 C--N 1.314 -0.971 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.646 177.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.415 -2.182 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.2 p -98.57 176.02 5.8 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -61.78 -38.53 88.39 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 122.739 1.257 . . . . 0.0 110.171 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.1 -42.37 99.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 112.679 -2.055 . . . . 0.0 111.127 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 22.0 mm-40 -72.5 -39.87 67.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.149 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.6 t -70.6 -39.76 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -55.06 -45.69 75.34 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.628 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.08 -28.22 69.64 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 6.9 pt20 -68.65 -47.78 65.69 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD13 HG23 ' A' ' 34' ' ' ILE . 32.3 mt -67.26 -42.3 84.13 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-N 113.324 -1.762 . . . . 0.0 112.519 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 m -58.02 -51.43 69.68 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.921 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 32.4 tt0 -63.32 -42.34 98.98 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.602 0.715 . . . . 0.0 110.896 -177.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -66.07 -43.47 87.31 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.819 -176.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.37 91.85 Favored Glycine 0 C--O 1.199 -2.04 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 22.7 mmmt -66.13 -33.93 76.9 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 58.9 mtpt -75.34 -39.8 58.95 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.262 0.553 . . . . 0.0 110.199 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -79.25 -48.8 13.53 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.297 1.046 . . . . 0.0 110.913 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.32 12.04 37.18 Favored Glycine 0 N--CA 1.428 -1.85 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -173.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.0 p -166.2 152.1 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.753 0 CA-C-N 115.342 -0.429 . . . . 0.0 111.266 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 65.5 mt -148.28 132.3 17.22 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 124.799 1.24 . . . . 0.0 107.944 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.661 HG22 HG13 ' A' ' 63' ' ' ILE . 42.3 p -75.72 149.78 37.98 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.972 173.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -53.94 -38.02 64.5 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.784 0.326 . . . . 0.0 111.31 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.42 -33.56 60.94 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.38 -25.39 60.55 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 119.22 -0.992 . . . . 0.0 108.855 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.474 HD11 HD12 ' A' ' 62' ' ' LEU . 95.2 mt -72.37 -43.55 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.798 175.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.55 68.02 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.916 0.886 . . . . 0.0 110.696 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.03 -41.77 97.21 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.115 -173.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -75.42 -29.75 59.84 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.366 0.603 . . . . 0.0 109.75 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.6 mmt -83.62 -1.4 53.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.03 -175.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.2 p -67.95 -22.0 65.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.233 0.54 . . . . 0.0 110.34 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -68.13 -28.07 67.0 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.526 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' HB2' HG12 ' A' ' 43' ' ' ILE . 19.0 m-85 -104.83 -173.92 2.42 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -119.28 81.29 1.69 Allowed 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' A' ' 41' ' ' PHE . 37.1 mm -102.22 122.11 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.941 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.69 162.81 28.78 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 113.841 -1.527 . . . . 0.0 110.452 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 p -67.65 -22.12 65.33 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.641 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -71.28 -48.65 49.53 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -62.4 -41.49 98.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.009 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.509 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.4 mmt -61.39 -43.69 98.44 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.81 178.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.5 -36.93 85.31 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.046 0.45 . . . . 0.0 110.256 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -59.86 -43.97 94.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.139 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.77 -35.98 77.75 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.573 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.05 -42.49 98.58 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 118.069 0.395 . . . . 0.0 111.754 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 42.0 tt0 -63.76 -43.23 97.05 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 57.6 t80 -55.42 -51.66 66.14 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.925 0.766 . . . . 0.0 110.293 178.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 92.0 mt -57.76 -43.42 85.44 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.469 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.54 -41.4 98.72 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.619 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 38.7 mm-40 -64.19 -34.26 77.67 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 122.936 0.495 . . . . 0.0 111.633 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 84.2 mm-40 -77.23 -38.38 51.34 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.23 49.06 0.12 Allowed Glycine 0 C--N 1.302 -1.34 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.561 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 22.8 t -130.46 132.48 64.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -92.28 131.18 37.7 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.528 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -95.39 97.9 10.16 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.65 177.531 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.661 HG13 HG22 ' A' ' 30' ' ' THR . 34.8 pt . . . . . 0 C--N 1.306 -1.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.649 -178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HB2' HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.427 -1.605 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.575 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 11.1 p -100.53 174.05 6.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.66 -38.42 91.05 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 122.78 1.276 . . . . 0.0 110.418 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -64.73 -35.15 80.13 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 112.293 -2.231 . . . . 0.0 111.616 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 15.4 mm100 -76.58 -38.24 55.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.572 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.2 t -71.35 -37.93 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -56.96 -44.22 82.36 Favored 'General case' 0 N--CA 1.409 -2.493 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.092 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.07 -31.36 71.78 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.9 pt20 -70.42 -48.63 55.12 Favored 'General case' 0 CA--C 1.484 -1.571 0 CA-C-O 122.455 1.121 . . . . 0.0 109.037 -175.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.496 ' O ' HD11 ' A' ' 29' ' ' LEU . 54.1 mt -65.89 -40.04 91.21 Favored 'General case' 0 N--CA 1.401 -2.908 0 CA-C-N 113.226 -1.806 . . . . 0.0 111.076 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -59.29 -51.43 70.0 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 124.094 0.871 . . . . 0.0 110.086 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.32 -44.34 96.72 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 122.183 0.992 . . . . 0.0 110.177 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.9 m -66.14 -46.39 77.64 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.249 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.69 -32.65 84.88 Favored Glycine 0 C--O 1.212 -1.26 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.509 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 27.2 mmmt -64.5 -35.56 81.36 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.82 -42.1 34.9 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-O 122.021 0.915 . . . . 0.0 110.757 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' A' ' 28' ' ' VAL . 94.2 mtt180 -75.83 -48.3 22.12 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.275 -176.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 4.6 47.68 Favored Glycine 0 N--CA 1.428 -1.852 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.927 -173.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.456 ' O ' ' HD2' ' A' ' 26' ' ' ARG . 8.3 p -162.29 156.97 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.671 0 CA-C-N 115.346 -0.427 . . . . 0.0 110.951 -172.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 19' ' ' LEU . 38.0 mt -148.31 139.73 23.5 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 124.15 0.98 . . . . 0.0 109.369 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.462 ' HA ' HG13 ' A' ' 63' ' ' ILE . 74.6 p -75.68 140.17 42.37 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 118.093 0.406 . . . . 0.0 111.103 175.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -50.83 -37.87 45.49 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.045 0.938 . . . . 0.0 112.789 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -86.57 -24.97 25.24 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.483 -0.887 . . . . 0.0 113.293 -173.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 12.8 pt-20 -73.75 -31.8 63.51 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 118.111 -1.436 . . . . 0.0 107.897 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 38' ' ' MET . 84.6 mt -62.78 -44.35 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.233 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.832 175.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.05 87.32 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 124.11 0.964 . . . . 0.0 110.721 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.69 -47.66 84.77 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.082 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 54.5 mmt-85 -66.17 -32.54 74.05 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.467 ' HG3' ' HE1' ' A' ' 48' ' ' MET . 21.9 mmt -82.27 -5.14 58.34 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.528 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 m -78.48 -5.51 52.76 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.294 0.569 . . . . 0.0 110.002 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 m -73.31 -30.53 63.43 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' HB2' HG12 ' A' ' 43' ' ' ILE . 25.3 m-85 -103.66 -166.48 1.26 Allowed 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 114.02 -1.445 . . . . 0.0 107.641 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.62 64.66 0.74 Allowed 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.43 HG12 ' HB2' ' A' ' 41' ' ' PHE . 30.7 mm -100.96 115.0 41.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-O 121.55 0.691 . . . . 0.0 110.404 -175.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -77.16 168.46 20.02 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.604 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.7 t -61.94 -30.95 71.26 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.494 0.718 . . . . 0.0 109.407 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.9 -47.36 85.26 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 125.059 1.343 . . . . 0.0 109.23 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -77.55 -35.92 52.72 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.099 -1.41 . . . . 0.0 109.932 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.523 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -59.98 -38.09 81.54 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.99 176.548 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.12 -42.02 76.2 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.34 0.656 . . . . 0.0 111.443 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.38 -37.84 88.23 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.669 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 55' ' ' LEU . 25.8 t80 -71.22 -34.67 71.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.637 176.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.76 -39.86 93.11 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 120.901 0.382 . . . . 0.0 110.538 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 8.6 tp10 -63.29 -47.17 83.42 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.228 176.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 46.8 t80 -55.43 -50.34 70.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 O-C-N 123.935 0.772 . . . . 0.0 110.861 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 85.6 mt -58.14 -42.86 86.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.827 178.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.51 96.33 Favored Glycine 0 C--O 1.237 0.318 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.208 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 48.6 mt-10 -63.82 -32.93 74.61 Favored 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 122.651 0.38 . . . . 0.0 111.405 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 25.2 mm-40 -78.89 -53.22 7.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.24 49.43 0.03 OUTLIER Glycine 0 C--N 1.302 -1.351 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.5 t -133.83 131.99 56.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 45.5 mt-10 -97.87 140.15 32.66 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 173.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.84 112.49 24.57 Favored 'General case' 0 N--CA 1.408 -2.571 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.035 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' A' ' 30' ' ' THR . 15.3 pt . . . . . 0 CA--C 1.462 -2.406 0 CA-C-O 122.152 0.977 . . . . 0.0 111.522 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.591 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.423 -1.789 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.494 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 55.2 p -99.43 178.56 4.84 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -64.27 -36.44 84.11 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.684 1.231 . . . . 0.0 110.301 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.62 -40.21 95.07 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 112.906 -1.952 . . . . 0.0 113.013 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.591 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 15.7 mm-40 -75.27 -36.61 61.19 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.496 -176.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.548 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.6 t -71.02 -37.98 69.95 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.719 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -55.14 -47.95 74.37 Favored 'General case' 0 N--CA 1.408 -2.571 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.303 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.31 -26.24 68.4 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.9 pt20 -71.03 -50.18 36.85 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 122.609 1.195 . . . . 0.0 108.609 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD13 HG23 ' A' ' 34' ' ' ILE . 25.6 mt -66.08 -39.53 90.1 Favored 'General case' 0 N--CA 1.414 -2.236 0 CA-C-N 113.248 -1.796 . . . . 0.0 111.791 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 17.0 m -60.03 -50.19 74.7 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.402 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.92 -40.98 99.24 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 123.853 0.721 . . . . 0.0 109.838 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -62.0 -48.21 81.32 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.435 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.13 91.61 Favored Glycine 0 C--O 1.207 -1.553 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.814 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 20' ' ' THR . 29.8 mmmt -63.28 -35.86 81.75 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 122.895 0.478 . . . . 0.0 112.257 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -75.01 -39.13 61.33 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.276 0.56 . . . . 0.0 111.053 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.405 HH12 ' CD ' ' A' ' 33' ' ' GLU . 87.6 mtt180 -84.34 -54.94 4.44 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 122.247 1.022 . . . . 0.0 111.72 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.91 -5.4 18.38 Favored Glycine 0 N--CA 1.426 -1.995 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.116 -174.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.4 p -156.32 157.26 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 CA-C-O 120.72 0.295 . . . . 0.0 111.136 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.412 HD11 ' O ' ' A' ' 19' ' ' LEU . 68.6 mt -145.74 141.72 28.27 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 124.627 1.171 . . . . 0.0 108.59 175.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.594 HG22 HG13 ' A' ' 63' ' ' ILE . 44.0 p -79.93 144.11 33.63 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -57.2 -36.11 70.44 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.142 0.496 . . . . 0.0 111.047 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -77.55 -23.76 50.0 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.237 -173.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 30' ' ' THR . 15.4 pt-20 -80.32 -29.13 38.05 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 176.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.447 HG23 HD13 ' A' ' 19' ' ' LEU . 89.5 mt -67.07 -41.68 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.124 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.779 175.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.09 -30.72 71.28 Favored 'General case' 0 N--CA 1.432 -1.347 0 C-N-CA 124.081 0.953 . . . . 0.0 110.857 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.86 -51.82 68.09 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.886 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -69.18 -30.49 68.7 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -81.3 -3.36 52.3 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.829 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t -79.98 -4.26 51.76 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 t -74.08 -28.89 61.6 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -110.24 -169.57 1.49 Allowed 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 114.098 -1.41 . . . . 0.0 107.301 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -125.23 89.64 3.09 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.5 129.81 60.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.627 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.69 167.72 21.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.535 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.6 t -66.82 -32.06 73.1 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 176.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.58 -43.73 75.9 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.59 -36.8 84.99 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.987 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -64.8 -42.1 95.28 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.848 175.618 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 19.4 t70 -61.14 -34.93 75.79 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.319 0.387 . . . . 0.0 110.661 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.64 -47.56 81.89 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.648 0.737 . . . . 0.0 109.522 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -68.57 -34.43 75.8 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.0 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.413 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 22.9 m-85 -61.89 -42.15 98.74 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.291 -0.256 . . . . 0.0 111.35 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.25 -43.45 98.8 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.355 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 51.4 t80 -57.64 -50.39 73.31 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 83.0 mt -57.34 -42.49 82.08 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.565 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.53 98.63 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.802 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.25 -38.81 88.05 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 122.989 0.515 . . . . 0.0 111.072 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 24.7 mm-40 -76.15 -50.16 15.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 -176.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.3 56.65 0.04 OUTLIER Glycine 0 C--N 1.304 -1.199 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.075 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.5 t -139.2 128.75 30.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 40.3 mt-10 -90.68 136.49 33.03 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.91 112.39 25.34 Favored 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.353 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.594 HG13 HG22 ' A' ' 30' ' ' THR . 25.7 pt . . . . . 0 C--N 1.307 -1.266 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.424 -1.734 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.536 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 23.8 p -101.76 171.53 7.48 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.214 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -60.73 -37.09 80.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.558 1.171 . . . . 0.0 110.716 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.477 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 20.6 m-20 -64.62 -38.08 89.78 Favored 'General case' 0 CA--C 1.5 -0.942 0 CA-C-N 112.897 -1.956 . . . . 0.0 111.974 175.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.536 ' HB2' ' H ' ' A' ' 11' ' ' THR . 8.7 mm100 -73.64 -38.41 65.01 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.449 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 76.5 t -72.71 -38.48 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.358 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.185 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.2 mtmt -57.4 -49.96 74.51 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.16 -26.18 68.19 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.7 pt20 -71.3 -51.28 25.3 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-O 122.201 1.0 . . . . 0.0 108.901 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.519 HD13 HG23 ' A' ' 34' ' ' ILE . 56.7 mt -66.67 -35.87 81.18 Favored 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 113.134 -1.848 . . . . 0.0 112.068 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 18.0 m -57.5 -51.01 71.19 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.917 176.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 25.2 tt0 -62.77 -42.11 99.54 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.685 0.755 . . . . 0.0 110.463 -174.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 25.1 m -64.78 -45.78 84.89 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.698 -176.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.78 89.62 Favored Glycine 0 C--O 1.209 -1.444 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.475 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 27.2 mmmt -64.31 -34.76 78.89 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.951 -0.625 . . . . 0.0 112.393 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 60.2 mtpt -76.89 -37.73 54.9 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.204 0.526 . . . . 0.0 111.295 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 22' ' ' SER . 87.5 mtt180 -85.13 -46.64 10.93 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 122.189 0.995 . . . . 0.0 111.819 -175.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.67 5.77 44.61 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 -174.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 8.3 p -162.5 156.39 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.923 0 CA-C-N 115.313 -0.444 . . . . 0.0 110.169 -174.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 67.3 mt -150.55 142.2 23.62 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 174.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.56 HG22 HG13 ' A' ' 63' ' ' ILE . 39.4 p -74.1 139.67 44.76 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.281 170.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 70.7 m-85 -51.31 -40.65 59.47 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.646 0.736 . . . . 0.0 110.394 178.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -82.11 -25.34 34.55 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.7 -25.71 62.2 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 118.576 -1.249 . . . . 0.0 107.799 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.519 HG23 HD13 ' A' ' 19' ' ' LEU . 84.5 mt -67.49 -42.91 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-N 113.954 -1.476 . . . . 0.0 109.211 175.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.29 -28.81 67.51 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.266 1.027 . . . . 0.0 111.334 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -51.6 68.89 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 123.707 0.803 . . . . 0.0 110.411 -175.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -69.95 -24.5 63.36 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.965 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.459 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.3 mmt -84.38 -6.64 59.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 m -61.34 -27.46 68.52 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.386 0.613 . . . . 0.0 109.934 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -60.86 -29.89 69.8 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.859 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.559 ' HB2' HG12 ' A' ' 43' ' ' ILE . 28.5 m-85 -110.36 -5.43 15.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.289 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 60.26 39.03 19.54 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.083 0.953 . . . . 0.0 111.253 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.559 HG12 ' HB2' ' A' ' 41' ' ' PHE . 45.1 mm -63.68 126.91 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.741 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -75.89 159.85 30.52 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.504 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -57.43 -34.49 69.01 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 123.859 0.864 . . . . 0.0 111.297 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.83 -49.36 73.15 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 121.427 0.632 . . . . 0.0 109.607 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.02 -37.12 86.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.516 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.517 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -59.35 -42.0 90.52 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.694 176.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.428 ' HA ' ' CD1' ' A' ' 52' ' ' TYR . 23.5 t70 -61.78 -38.56 88.52 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.666 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.4 -40.02 89.44 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.604 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CE2' HD11 ' A' ' 55' ' ' LEU . 23.1 t80 -71.09 -36.68 72.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.334 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 49' ' ' ASP . 23.0 m-85 -62.54 -42.6 99.63 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.578 0.704 . . . . 0.0 110.699 -179.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.22 -38.87 92.85 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.507 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.416 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 37.4 t80 -60.96 -51.6 68.59 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.941 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.452 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 96.9 mt -57.75 -39.86 78.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.155 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.37 -41.63 98.56 Favored Glycine 0 CA--C 1.511 -0.218 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.516 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -65.17 -31.19 72.25 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.475 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 79.8 mm-40 -78.35 -47.9 16.71 Favored 'General case' 0 C--O 1.227 -0.131 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.83 51.64 0.06 OUTLIER Glycine 0 C--N 1.308 -1.02 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.44 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.452 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 30.4 t -133.31 128.01 54.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 46.8 mt-10 -89.97 140.06 29.99 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 172.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.6 mm? -102.8 116.75 33.17 Favored 'General case' 0 N--CA 1.41 -2.462 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.758 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.56 HG13 HG22 ' A' ' 30' ' ' THR . 4.6 pt . . . . . 0 CA--C 1.483 -1.623 0 CA-C-O 122.145 0.974 . . . . 0.0 111.739 175.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.469 ' HB2' HG23 ' A' ' 15' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.416 -2.163 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.519 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 14.7 p -98.77 173.56 6.82 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -64.02 -39.54 94.33 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 122.742 1.258 . . . . 0.0 110.043 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.445 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 28.4 m-20 -67.45 -34.58 77.49 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 112.586 -2.097 . . . . 0.0 112.571 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.519 ' HB2' ' H ' ' A' ' 11' ' ' THR . 14.8 mm100 -73.58 -37.75 65.39 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' HB2' ' A' ' 10' ' ' LEU . 54.6 t -71.99 -39.93 67.12 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.454 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -177.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.8 mtmt -55.62 -49.21 73.44 Favored 'General case' 0 N--CA 1.415 -2.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.884 171.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.79 -27.6 69.41 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -68.24 -58.05 5.03 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.458 ' O ' HD11 ' A' ' 29' ' ' LEU . 34.8 mt -64.27 -41.9 96.71 Favored 'General case' 0 N--CA 1.407 -2.586 0 CA-C-N 113.568 -1.651 . . . . 0.0 111.875 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 20.5 m -59.92 -52.82 63.8 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.901 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.5 tt0 -64.33 -38.79 92.3 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.927 0.87 . . . . 0.0 110.232 -174.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.9 m -64.92 -47.08 79.01 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.542 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.52 -33.1 85.44 Favored Glycine 0 C--O 1.2 -1.994 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.451 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 28.8 mmmt -66.93 -29.97 69.99 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 177.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 94.8 mttt -76.6 -46.17 27.18 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 122.021 0.915 . . . . 0.0 109.637 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -77.06 -48.01 19.02 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.304 -173.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.45 6.74 50.15 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 113.615 -1.63 . . . . 0.0 109.121 -174.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -160.26 156.83 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 CA-C-N 115.162 -0.519 . . . . 0.0 111.269 -171.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 58.9 mt -151.59 136.37 17.17 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 125.104 1.362 . . . . 0.0 108.254 174.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.736 HG22 HG13 ' A' ' 63' ' ' ILE . 38.8 p -80.99 144.65 31.66 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 117.927 0.33 . . . . 0.0 110.275 173.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.401 ' HD1' ' CZ ' ' A' ' 52' ' ' TYR . 98.4 m-85 -56.34 -37.94 70.67 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.034 0.445 . . . . 0.0 110.828 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.58 -39.93 95.27 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.354 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.4 pt-20 -77.47 -28.05 52.17 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -176.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.407 HG23 HD13 ' A' ' 19' ' ' LEU . 85.3 mt -67.35 -47.68 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.003 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.4 -28.5 67.97 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.749 0.82 . . . . 0.0 110.647 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.89 -55.54 32.87 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.859 -174.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -71.46 -21.86 61.9 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.684 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.431 ' HG3' ' HE1' ' A' ' 48' ' ' MET . 25.1 mmt -85.56 -7.48 58.84 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.104 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.5 m -64.9 -21.94 66.91 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -65.59 -37.3 86.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.42 0.628 . . . . 0.0 109.513 175.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HB2' HG12 ' A' ' 43' ' ' ILE . 34.5 m-85 -90.33 -25.37 20.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.94 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 68.62 62.17 0.35 Allowed 'General case' 0 C--O 1.243 0.752 0 C-N-CA 124.752 1.221 . . . . 0.0 109.365 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 41' ' ' PHE . 38.2 mm -87.03 127.94 40.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 113.917 -1.492 . . . . 0.0 108.918 -178.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -79.88 168.05 19.76 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 123.736 0.814 . . . . 0.0 111.75 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -60.18 -35.03 74.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.97 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.72 -49.06 76.33 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.131 0.967 . . . . 0.0 110.131 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.446 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 40.6 mt-30 -72.48 -39.94 67.32 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.893 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.487 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -62.8 -38.36 90.38 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.26 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.94 -48.04 64.46 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.417 1.087 . . . . 0.0 111.421 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.14 -33.49 75.56 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.949 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -70.5 -37.14 74.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.401 ' CZ ' ' HD1' ' A' ' 31' ' ' TYR . 22.6 m-85 -61.26 -44.04 97.89 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.818 0.818 . . . . 0.0 109.635 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 39.8 tt0 -62.82 -42.71 99.84 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 113.822 -1.535 . . . . 0.0 109.603 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.493 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 42.3 t80 -59.44 -50.9 72.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.447 176.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.8 mt -56.98 -43.44 81.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.509 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.61 -39.45 95.12 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.626 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 20.6 mm-40 -64.44 -34.13 77.48 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 120.951 0.405 . . . . 0.0 111.612 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 22.3 mm-40 -77.21 -46.57 22.82 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.83 50.05 0.06 OUTLIER Glycine 0 C--N 1.298 -1.56 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.684 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 26.6 t -131.92 127.32 58.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.93 130.21 38.59 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -92.92 109.24 20.68 Favored 'General case' 0 N--CA 1.427 -1.617 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.275 -179.326 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.736 HG13 HG22 ' A' ' 30' ' ' THR . 33.0 pt . . . . . 0 C--N 1.308 -1.21 0 CA-C-O 121.733 0.778 . . . . 0.0 112.621 178.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.432 -1.347 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.4 p -99.56 175.53 5.8 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.25 -35.42 80.98 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 122.626 1.203 . . . . 0.0 110.505 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.9 -40.45 97.6 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 112.639 -2.073 . . . . 0.0 111.495 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.474 ' HA ' ' OE1' ' A' ' 14' ' ' GLN . 15.7 mm-40 -75.78 -35.68 60.03 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.532 0.682 . . . . 0.0 110.765 -177.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.4 t -72.51 -39.58 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.547 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.169 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -56.39 -49.98 72.9 Favored 'General case' 0 N--CA 1.412 -2.34 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.257 0.4 OUTLIER -63.99 -22.05 66.76 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 176.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.2 pt20 -70.06 -48.89 55.97 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.451 HD13 HG23 ' A' ' 34' ' ' ILE . 53.4 mt -68.08 -38.39 82.3 Favored 'General case' 0 N--CA 1.405 -2.681 0 CA-C-N 113.259 -1.791 . . . . 0.0 112.479 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 49.0 m -57.14 -53.33 59.28 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 124.009 0.818 . . . . 0.0 108.85 177.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.1 tt0 -62.76 -43.04 99.84 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.279 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.1 m -63.71 -47.41 81.22 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.47 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.96 92.74 Favored Glycine 0 C--O 1.205 -1.691 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.9 mmmt -65.76 -32.2 73.61 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 177.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 29.6 mtpp -74.68 -35.68 62.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.449 0.642 . . . . 0.0 111.074 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' A' ' 28' ' ' VAL . 97.2 mtt180 -86.55 -54.58 4.32 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 122.183 0.992 . . . . 0.0 112.288 -176.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.95 -0.16 27.13 Favored Glycine 0 N--CA 1.426 -2.023 0 CA-C-N 113.357 -1.747 . . . . 0.0 109.739 -173.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.2 p -159.79 158.42 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.675 0 CA-C-N 115.431 -0.384 . . . . 0.0 110.317 -173.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.4 mt -149.25 139.19 22.0 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 124.733 1.213 . . . . 0.0 108.401 174.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.471 HG22 HG13 ' A' ' 63' ' ' ILE . 25.5 p -75.92 141.02 42.4 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 171.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 52' ' ' TYR . 59.6 m-85 -53.27 -41.79 65.88 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.13 0.49 . . . . 0.0 112.079 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -70.18 -33.73 72.1 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.3 pt-20 -74.67 -22.74 58.71 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 119.222 -0.991 . . . . 0.0 109.069 -176.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.451 HG23 HD13 ' A' ' 19' ' ' LEU . 89.5 mt -71.66 -41.56 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.458 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.78 -28.32 68.29 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.06 0.944 . . . . 0.0 110.917 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.78 -53.04 62.54 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.052 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -71.79 -23.39 61.56 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.329 -177.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.8 mmt -84.92 -6.43 59.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.755 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -76.03 -12.99 60.23 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.151 0.501 . . . . 0.0 109.727 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -72.93 -25.93 61.21 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 173.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -105.38 -171.36 1.9 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -122.62 91.59 3.53 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 173.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.9 mm -112.13 122.52 66.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.802 -175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 42.9 mt-10 -70.51 154.39 41.93 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.22 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.0 t -63.26 -26.65 68.88 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.4 0.619 . . . . 0.0 109.498 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.46 -45.0 95.05 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.349 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' ' HB2' ' A' ' 44' ' ' GLU . 16.1 mt-30 -72.55 -35.82 68.11 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.274 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.52 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -57.68 -41.63 81.98 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.573 177.466 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.56 -35.82 80.69 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.883 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.7 -43.02 94.27 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -69.44 -39.0 78.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.146 177.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.413 ' CZ ' ' HD2' ' A' ' 31' ' ' TYR . 23.0 m-85 -61.58 -44.67 96.59 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 120.985 0.421 . . . . 0.0 111.4 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 35.4 tt0 -64.49 -39.21 93.37 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.699 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.98 -51.3 70.23 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 123.944 0.777 . . . . 0.0 109.712 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.498 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.1 mt -56.61 -45.23 81.58 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.55 179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.25 -40.46 97.4 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.749 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 89.9 mt-10 -65.73 -32.31 73.79 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 177.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.438 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 86.5 mm-40 -78.44 -43.45 27.2 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.18 40.8 0.1 Allowed Glycine 0 C--N 1.294 -1.787 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.195 176.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 23.7 t -125.27 124.53 67.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 51.7 mt-10 -91.52 135.82 33.58 Favored 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -99.25 116.11 30.69 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.184 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 30' ' ' THR . 24.1 pt . . . . . 0 C--N 1.304 -1.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.485 175.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.409 -2.476 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.494 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 33.8 p -105.75 179.17 4.35 Favored 'General case' 0 N--CA 1.411 -2.38 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -61.23 -36.67 80.59 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.106 0.955 . . . . 0.0 111.536 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -63.04 -42.4 99.72 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 113.595 -1.638 . . . . 0.0 110.722 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.588 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 11.4 mm100 -73.18 -40.14 65.03 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.184 -172.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 70.3 t -70.78 -38.39 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.899 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -56.95 -47.08 81.51 Favored 'General case' 0 N--CA 1.408 -2.559 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.332 173.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.5 -28.0 69.53 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.1 pt20 -70.61 -51.21 29.74 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.082 0.944 . . . . 0.0 108.763 -178.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' HD11 ' A' ' 29' ' ' LEU . 29.4 mt -66.69 -42.34 86.64 Favored 'General case' 0 N--CA 1.416 -2.168 0 CA-C-N 113.642 -1.617 . . . . 0.0 112.245 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -57.77 -50.88 71.77 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.051 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG2' ' HD2' ' A' ' 25' ' ' LYS . 28.9 tt0 -63.15 -40.44 97.58 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.604 0.716 . . . . 0.0 109.649 -176.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.0 m -63.13 -45.33 92.44 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.609 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.95 -35.92 92.47 Favored Glycine 0 N--CA 1.425 -2.068 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 26.4 mmmt -64.55 -36.54 84.56 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' HG2' ' A' ' 21' ' ' GLU . 43.3 mtpt -76.05 -32.17 59.18 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.139 0.495 . . . . 0.0 111.451 -179.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -89.75 -52.76 4.83 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 122.577 1.179 . . . . 0.0 112.48 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.26 -1.01 26.71 Favored Glycine 0 N--CA 1.434 -1.484 0 CA-C-N 113.454 -1.703 . . . . 0.0 109.955 -174.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 11.2 p -159.45 150.66 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 CA-C-O 121.071 0.462 . . . . 0.0 111.053 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 19' ' ' LEU . 60.9 mt -138.08 145.45 41.73 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.849 175.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.505 HG22 HG13 ' A' ' 63' ' ' ILE . 32.1 p -79.68 139.37 37.4 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -54.61 -36.89 64.94 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 121.131 0.491 . . . . 0.0 111.546 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -78.64 -26.77 45.25 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -172.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.9 pt-20 -74.38 -26.14 59.92 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 38' ' ' MET . 81.6 mt -68.95 -43.04 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.687 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.609 176.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.01 -33.42 74.57 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.827 0.822 . . . . 0.0 110.209 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 29.0 tt0 -59.39 -51.87 68.05 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 125.325 1.45 . . . . 0.0 111.631 -173.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -72.47 -21.7 61.18 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.038 0.447 . . . . 0.0 110.676 -177.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.7 mmt -85.6 2.7 43.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.639 -178.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.4 p -66.22 -17.51 64.78 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.3 0.572 . . . . 0.0 111.973 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.9 m -74.21 -20.74 60.09 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 121.564 0.697 . . . . 0.0 109.644 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.7 m-85 -112.64 -177.57 3.18 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -119.68 72.83 0.93 Allowed 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 41' ' ' PHE . 37.8 mm -92.59 119.7 40.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.153 -174.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.99 156.61 39.04 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.183 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.7 m -60.45 -27.51 67.58 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.57 -46.19 80.4 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -66.51 -38.92 88.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.34 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -61.09 -40.53 94.07 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.303 177.544 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.08 -35.93 81.9 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.184 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.69 -43.34 99.05 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.685 0.755 . . . . 0.0 109.153 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -68.22 -36.59 79.74 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.271 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -62.85 -40.25 96.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.995 0.426 . . . . 0.0 110.401 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.97 -45.63 88.24 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.767 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.444 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 44.9 t80 -56.81 -50.32 72.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.706 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.528 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 91.7 mt -57.94 -43.26 86.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.365 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.49 -40.76 98.16 Favored Glycine 0 C--O 1.241 0.532 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.231 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.73 -33.86 76.6 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 123.292 0.637 . . . . 0.0 112.3 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 73.7 mm-40 -79.8 -39.5 30.69 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.2 43.43 0.15 Allowed Glycine 0 C--N 1.303 -1.27 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.647 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.4 t -127.28 125.04 65.31 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 46.5 mt-10 -92.57 142.42 27.42 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 174.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.6 121.45 42.95 Favored 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.221 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 30' ' ' THR . 29.6 pt . . . . . 0 C--N 1.307 -1.274 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.659 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.413 -2.281 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.528 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 49.0 p -100.67 178.13 4.8 Favored 'General case' 0 N--CA 1.411 -2.403 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.5 -38.78 87.98 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.654 1.216 . . . . 0.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.53 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -65.86 -34.99 79.41 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 112.728 -2.033 . . . . 0.0 111.986 175.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.528 ' HB2' ' H ' ' A' ' 11' ' ' THR . 26.3 mm-40 -73.32 -40.23 64.65 Favored 'General case' 0 CA--C 1.494 -1.189 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.361 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.0 t -70.54 -36.79 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.924 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.53 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.1 mtmt -57.22 -47.25 81.79 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.639 171.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.17 -30.13 70.84 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.8 pt20 -70.36 -50.4 39.33 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 122.286 1.041 . . . . 0.0 108.702 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.457 HD13 HG23 ' A' ' 34' ' ' ILE . 27.8 mt -66.18 -39.26 89.59 Favored 'General case' 0 N--CA 1.411 -2.401 0 CA-C-N 113.488 -1.687 . . . . 0.0 112.307 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 17.0 m -58.82 -52.55 65.22 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.848 0.717 . . . . 0.0 110.538 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 10.1 tp10 -63.7 -41.12 98.16 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.111 0.957 . . . . 0.0 110.199 -175.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 24.0 m -65.35 -43.97 89.16 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.504 -177.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.24 -34.23 88.97 Favored Glycine 0 C--O 1.206 -1.608 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.8 mmmt -64.34 -33.76 76.58 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 177.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.9 mtpp -74.82 -39.63 61.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.076 0.941 . . . . 0.0 110.336 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 22' ' ' SER . 95.0 mtt180 -82.95 -44.2 15.58 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.715 -173.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.76 7.95 58.53 Favored Glycine 0 N--CA 1.423 -2.182 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 -175.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 8.9 p -166.66 156.72 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -2.019 0 CA-C-N 115.114 -0.543 . . . . 0.0 110.582 -173.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.2 mt -149.52 137.47 20.43 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 124.787 1.235 . . . . 0.0 108.108 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.538 HG22 HG13 ' A' ' 63' ' ' ILE . 27.2 p -76.74 141.84 40.67 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -56.21 -41.87 76.29 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 121.442 0.639 . . . . 0.0 110.948 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.61 -16.45 61.24 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -174.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.5 pt-20 -88.86 -25.25 22.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 118.876 -1.13 . . . . 0.0 108.007 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.457 HG23 HD13 ' A' ' 19' ' ' LEU . 79.8 mt -68.82 -41.56 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 176.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.18 -28.6 67.41 Favored 'General case' 0 N--CA 1.432 -1.358 0 C-N-CA 124.395 1.078 . . . . 0.0 110.296 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -62.09 -48.3 80.79 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 124.764 1.226 . . . . 0.0 110.655 -174.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 8.8 mmt85 -73.39 -27.52 61.51 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.981 0.419 . . . . 0.0 110.95 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.6 mmt -83.18 -9.12 59.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.596 -177.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.1 m -59.09 -29.88 67.68 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 122.581 0.352 . . . . 0.0 111.279 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 m -63.26 -32.9 74.42 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -93.75 -26.78 16.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.301 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 63.76 72.28 0.47 Allowed 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.856 0.862 . . . . 0.0 109.031 -173.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 36.1 mm -86.82 133.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.148 -175.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.91 151.47 46.67 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.768 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -60.52 -29.18 68.95 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.067 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.98 -53.52 57.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.44 0.696 . . . . 0.0 109.923 175.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 8.1 mt-30 -72.35 -32.09 66.18 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.253 -177.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.504 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.2 OUTLIER -62.83 -47.65 82.51 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.662 178.74 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.71 -42.23 88.2 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.146 0.578 . . . . 0.0 109.97 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.14 -43.4 95.76 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.399 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -68.45 -38.65 81.33 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.873 177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -61.99 -41.83 98.47 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.33 0.586 . . . . 0.0 111.196 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 30.2 tt0 -64.97 -42.11 94.85 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.436 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.45 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 40.3 t80 -57.2 -51.3 69.87 Favored 'General case' 0 N--CA 1.444 -0.739 0 O-C-N 123.659 0.599 . . . . 0.0 110.383 175.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 80.1 mt -57.57 -41.55 81.31 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.143 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.86 -38.24 95.02 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.7 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.6 mm-40 -63.33 -36.83 84.98 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 122.656 0.382 . . . . 0.0 111.921 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 63.4 mm-40 -77.97 -44.85 25.54 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -177.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.09 36.45 0.1 OUTLIER Glycine 0 C--N 1.304 -1.207 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.177 174.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.4 t -119.96 126.02 74.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 39.9 mt-10 -90.68 133.07 35.41 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.431 HD12 HD11 ' A' ' 34' ' ' ILE . 1.2 mm? -100.07 111.95 24.24 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.129 -178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.538 HG13 HG22 ' A' ' 30' ' ' THR . 33.8 pt . . . . . 0 C--N 1.304 -1.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.625 177.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.427 -1.583 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.547 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 12.4 p -96.26 174.88 6.67 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -64.22 -37.17 86.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.888 1.328 . . . . 0.0 110.199 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.61 -42.27 98.64 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 112.014 -2.357 . . . . 0.0 110.483 174.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.547 ' HB2' ' H ' ' A' ' 11' ' ' THR . 16.4 mm100 -76.44 -35.04 58.71 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.909 -175.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 44.4 t -72.29 -40.0 64.58 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.623 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -55.84 -47.76 76.66 Favored 'General case' 0 N--CA 1.411 -2.408 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.25 53.7 mt-10 -65.15 -24.99 67.55 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.8 pt20 -70.93 -49.9 40.62 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.31 -41.39 96.86 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 113.574 -1.648 . . . . 0.0 111.549 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 8.5 m -60.59 -50.83 71.96 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.522 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.7 tp10 -60.4 -44.38 95.74 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 m -62.09 -49.31 76.44 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.429 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.66 -35.5 92.12 Favored Glycine 0 C--O 1.211 -1.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.301 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.5 mmmt -64.76 -31.32 72.49 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.816 0.362 . . . . 0.0 111.344 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.6 mtpp -74.53 -43.31 56.42 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.721 0.772 . . . . 0.0 110.213 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -78.27 -48.13 16.39 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.53 -173.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.54 9.37 47.1 Favored Glycine 0 N--CA 1.42 -2.411 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -173.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -164.94 156.75 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.723 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.23 -173.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 56.4 mt -152.65 135.22 15.26 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 125.07 1.348 . . . . 0.0 108.051 174.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.55 HG22 HG13 ' A' ' 63' ' ' ILE . 33.6 p -75.99 144.88 40.67 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 172.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -56.01 -37.31 68.97 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 121.664 0.745 . . . . 0.0 110.788 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.25 -28.69 63.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 30' ' ' THR . 12.9 pt-20 -79.22 -28.85 42.53 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.442 HD11 HD12 ' A' ' 62' ' ' LEU . 83.9 mt -66.15 -42.55 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.52 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.29 73.3 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 123.84 0.856 . . . . 0.0 110.719 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.76 -44.01 97.31 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.394 -172.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 mmt-85 -70.94 -25.45 62.74 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.665 0.745 . . . . 0.0 110.033 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.3 mmt -82.42 1.33 37.91 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.979 -175.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.8 p -71.71 -14.15 61.94 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 122.059 0.933 . . . . 0.0 109.757 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 m -67.13 -29.93 69.8 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.009 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.465 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.9 m-85 -115.79 -172.1 2.1 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.935 0.894 . . . . 0.0 108.88 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.35 83.78 2.04 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.465 HG12 ' HB2' ' A' ' 41' ' ' PHE . 48.3 mm -95.9 125.21 48.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-O 122.139 0.971 . . . . 0.0 110.231 -176.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -78.55 168.52 19.66 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.686 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -67.06 -34.33 77.43 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -71.99 -36.74 69.86 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-O 121.756 0.788 . . . . 0.0 109.508 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -64.6 -45.07 88.5 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 114.084 -1.416 . . . . 0.0 109.236 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.489 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.1 mmt -63.57 -47.48 81.32 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.963 176.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.475 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 35.5 t70 -63.07 -38.25 90.43 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.3 -36.57 84.54 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' A' ' 55' ' ' LEU . 23.6 t80 -69.09 -37.03 78.21 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 22.9 m-85 -61.84 -42.47 99.08 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.22 0.533 . . . . 0.0 110.465 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.1 tp10 -64.08 -45.74 87.38 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.292 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 49.4 t80 -55.59 -51.14 68.13 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.247 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.431 HD11 ' CE2' ' A' ' 51' ' ' TYR . 82.3 mt -57.14 -42.03 80.21 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.237 0.542 . . . . 0.0 111.582 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.88 99.28 Favored Glycine 0 CA--C 1.503 -0.658 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.104 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 42.9 mt-10 -63.26 -35.05 79.04 Favored 'General case' 0 N--CA 1.427 -1.603 0 C-N-CA 122.676 0.391 . . . . 0.0 110.996 178.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 24.2 mm-40 -78.17 -48.93 14.81 Favored 'General case' 0 C--N 1.346 0.434 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.55 54.86 0.04 OUTLIER Glycine 0 C--N 1.301 -1.401 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.819 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.8 t -138.33 131.52 40.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -93.02 130.48 38.59 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.523 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -95.97 103.43 15.32 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.506 178.817 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.55 HG13 HG22 ' A' ' 30' ' ' THR . 32.2 pt . . . . . 0 C--N 1.295 -1.771 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.993 178.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.638 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER . . . . . 0 N--CA 1.424 -1.729 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.649 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 8.0 p -100.98 178.22 4.73 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.78 -37.85 88.3 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.845 1.307 . . . . 0.0 110.851 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -62.31 -42.34 99.29 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 112.398 -2.183 . . . . 0.0 109.878 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.649 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 12.0 mm100 -75.97 -34.83 59.81 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.421 -171.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 54.9 t -71.02 -42.08 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -55.84 -47.62 76.95 Favored 'General case' 0 N--CA 1.418 -2.03 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.939 172.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.53 -29.98 70.35 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 1.9 pt20 -69.97 -49.59 50.15 Favored 'General case' 0 CA--C 1.481 -1.694 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.502 ' O ' HD11 ' A' ' 29' ' ' LEU . 33.1 mt -66.34 -41.26 89.83 Favored 'General case' 0 N--CA 1.404 -2.766 0 CA-C-N 113.55 -1.659 . . . . 0.0 112.008 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.569 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 23.5 m -58.37 -55.6 32.98 Favored 'General case' 0 CA--C 1.501 -0.925 0 O-C-N 123.847 0.717 . . . . 0.0 109.347 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 36.2 tt0 -64.1 -41.79 97.15 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.909 -174.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 54.4 m -61.32 -48.19 82.48 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.155 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.48 89.77 Favored Glycine 0 C--O 1.206 -1.622 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 20' ' ' THR . 28.1 mmmt -63.94 -35.07 79.48 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 122.665 0.386 . . . . 0.0 111.53 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.4 mtpp -73.93 -47.71 35.83 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.733 0.778 . . . . 0.0 109.693 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 22' ' ' SER . 70.4 mtp180 -76.06 -47.0 26.36 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.339 -172.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.05 3.2 51.68 Favored Glycine 0 N--CA 1.425 -2.094 0 CA-C-N 113.472 -1.695 . . . . 0.0 109.072 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.9 p -160.99 157.16 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.898 0 CA-C-N 115.067 -0.566 . . . . 0.0 110.993 -172.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 19' ' ' LEU . 67.1 mt -152.1 132.02 13.35 Favored 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 124.632 1.173 . . . . 0.0 108.461 174.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.546 HG22 HG13 ' A' ' 63' ' ' ILE . 22.5 p -72.16 141.88 49.1 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 118.429 0.559 . . . . 0.0 110.735 173.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -53.15 -33.35 52.12 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 122.788 0.435 . . . . 0.0 111.563 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.24 -41.08 74.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.356 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.8 pt-20 -74.99 -25.58 58.94 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.798 0.808 . . . . 0.0 109.525 -175.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.445 HD11 HD12 ' A' ' 62' ' ' LEU . 73.4 mt -69.68 -40.78 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.124 176.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -35.25 77.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.725 0.81 . . . . 0.0 110.298 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.77 -51.48 68.74 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.87 1.268 . . . . 0.0 112.034 -175.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -70.44 -29.39 65.96 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.731 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 mmt -82.54 -5.0 58.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.2 p -78.73 -2.08 37.65 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.575 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -72.08 -26.2 62.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 171.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.4 m-85 -112.52 -170.39 1.66 Allowed 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -114.48 75.98 0.96 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.547 HG12 ' HB2' ' A' ' 41' ' ' PHE . 29.4 mm -105.67 113.47 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.196 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -79.58 164.84 23.52 Favored 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 114.218 -1.356 . . . . 0.0 110.925 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 p -58.87 -32.02 69.09 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.043 0.937 . . . . 0.0 109.982 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.54 -49.61 72.19 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 125.256 1.422 . . . . 0.0 109.854 177.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -77.45 -37.75 50.86 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.057 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.482 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -56.14 -41.38 75.27 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.355 177.341 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . 0.426 ' HA ' ' CD1' ' A' ' 52' ' ' TYR . 19.4 t70 -58.64 -38.41 78.01 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 124.442 1.097 . . . . 0.0 110.945 178.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.3 -39.4 89.32 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.39 -0.823 . . . . 0.0 108.893 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.44 ' CE2' HD11 ' A' ' 55' ' ' LEU . 25.2 t80 -70.2 -34.34 72.81 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.755 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 49' ' ' ASP . 22.8 m-85 -62.19 -38.99 91.21 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.196 0.522 . . . . 0.0 110.946 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.01 -47.85 81.34 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.407 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 49.9 t80 -54.27 -52.8 60.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.956 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.453 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.5 mt -58.02 -43.39 86.69 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.371 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.66 96.87 Favored Glycine 0 CA--C 1.51 -0.278 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.236 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.72 -33.67 76.15 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 76.6 mm-40 -80.54 -46.88 15.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.01 -178.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.9 47.1 0.04 OUTLIER Glycine 0 C--N 1.308 -1.015 0 C-N-CA 119.96 -1.114 . . . . 0.0 112.766 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.453 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.7 t -136.87 124.03 31.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 42.5 mt-10 -91.31 131.15 37.0 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 174.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -94.19 109.11 20.92 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.215 -178.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.546 HG13 HG22 ' A' ' 30' ' ' THR . 23.2 pt . . . . . 0 CA--C 1.459 -2.529 0 CA-C-O 122.918 1.342 . . . . 0.0 114.075 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 CA-C-O 120.526 0.203 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.423 ' O ' ' HG2' ' A' ' 14' ' ' GLN . 24.6 t70 -86.25 101.89 13.45 Favored 'General case' 0 CA--C 1.504 -0.798 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -178.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -49.08 151.87 1.23 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 115.901 1.815 . . . . 0.0 115.901 -170.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.49 ' HB3' ' HG3' ' A' ' 14' ' ' GLN . 11.2 pt20 -86.7 173.83 9.23 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.0 p -87.11 174.36 8.69 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 119.781 -0.768 . . . . 0.0 109.845 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -73.3 -23.29 60.25 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.166 0.508 . . . . 0.0 109.927 -179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -80.4 5.54 14.7 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.48 -177.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.4 m 73.71 15.47 4.01 Favored 'General case' 0 C--N 1.316 -0.855 0 C-N-CA 124.795 1.238 . . . . 0.0 110.883 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -83.5 119.71 25.02 Favored 'General case' 0 N--CA 1.433 -1.282 0 N-CA-C 106.985 -1.487 . . . . 0.0 106.985 174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.625 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -100.67 171.73 7.52 Favored 'General case' 0 C--N 1.277 -2.556 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.394 -171.021 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.533 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 70.1 p -101.31 175.73 5.48 Favored 'General case' 0 C--N 1.285 -2.225 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -59.47 -37.71 78.91 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 122.959 1.362 . . . . 0.0 109.868 178.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.489 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 30.8 t70 -64.64 -41.1 96.37 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 112.059 -2.337 . . . . 0.0 112.347 175.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.625 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 27.7 mm-40 -74.76 -34.17 62.44 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 121.392 0.615 . . . . 0.0 110.383 -175.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.517 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 66.0 t -71.04 -39.81 75.16 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.092 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 -179.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 8.3 mtmp? -55.97 -49.47 73.47 Favored 'General case' 0 N--CA 1.419 -2.009 0 CA-C-N 115.604 -0.725 . . . . 0.0 109.516 172.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -62.22 -28.94 70.04 Favored 'General case' 0 C--N 1.314 -0.962 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 177.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.7 pt20 -70.47 -52.54 21.36 Favored 'General case' 0 C--N 1.371 1.532 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 -178.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.484 ' O ' HD11 ' A' ' 29' ' ' LEU . 35.0 mt -64.53 -35.14 80.01 Favored 'General case' 0 N--CA 1.41 -2.466 0 CA-C-N 113.493 -1.685 . . . . 0.0 111.429 -177.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 12.6 m -59.39 -51.77 68.5 Favored 'General case' 0 N--CA 1.425 -1.704 0 CA-C-N 115.311 -0.858 . . . . 0.0 110.003 175.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -63.8 -42.63 97.68 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.319 0.58 . . . . 0.0 110.485 -175.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 53.1 m -60.55 -48.51 81.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.754 -1.112 . . . . 0.0 110.067 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.98 92.77 Favored Glycine 0 C--O 1.209 -1.448 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.031 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.7 mmmt -65.1 -33.34 75.8 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 122.656 0.382 . . . . 0.0 112.005 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -75.13 -40.92 59.4 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.706 0.765 . . . . 0.0 110.943 178.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -83.27 -46.48 12.6 Favored 'General case' 0 C--N 1.301 -1.522 0 CA-C-N 114.827 -1.079 . . . . 0.0 112.457 -173.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 98.92 9.88 50.96 Favored Glycine 0 N--CA 1.427 -1.955 0 N-CA-C 108.844 -1.703 . . . . 0.0 108.844 -174.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.6 p -164.68 156.92 1.64 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.686 0 CA-C-N 115.098 -0.551 . . . . 0.0 110.815 -173.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.484 HD11 ' O ' ' A' ' 19' ' ' LEU . 58.8 mt -153.04 132.48 12.9 Favored 'General case' 0 C--N 1.312 -1.037 0 C-N-CA 124.951 1.3 . . . . 0.0 108.633 174.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.548 HG22 HG13 ' A' ' 63' ' ' ILE . 40.7 p -73.9 145.96 44.39 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 171.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -58.66 -39.47 80.69 Favored 'General case' 0 CA--C 1.506 -0.74 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 -178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -77.92 -22.42 49.67 Favored 'General case' 0 N--CA 1.428 -1.552 0 C-N-CA 119.07 -1.052 . . . . 0.0 112.862 -173.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.3 pt-20 -77.18 -24.95 51.41 Favored 'General case' 0 C--O 1.234 0.242 0 N-CA-C 107.888 -1.153 . . . . 0.0 107.888 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.455 ' O ' ' HG2' ' A' ' 38' ' ' MET . 93.4 mt -73.23 -43.53 57.05 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.417 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.356 175.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.54 -30.77 69.64 Favored 'General case' 0 C--N 1.348 0.538 0 C-N-CA 124.543 1.137 . . . . 0.0 110.917 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -57.27 -53.4 58.56 Favored 'General case' 0 CA--C 1.502 -0.879 0 C-N-CA 125.698 1.599 . . . . 0.0 110.61 -175.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -72.66 -26.64 61.71 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.809 -177.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.3 mmt -82.74 -2.57 54.69 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.987 -178.178 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.7 t -73.69 -11.99 60.58 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.946 0.879 . . . . 0.0 109.28 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.8 m -75.03 -22.17 58.6 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 121.818 0.818 . . . . 0.0 109.374 174.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -113.95 -173.83 2.35 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.854 -1.066 . . . . 0.0 108.202 179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -115.24 87.3 2.63 Favored 'General case' 0 C--N 1.299 -1.621 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mm -115.67 116.81 53.59 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.421 0 CA-C-O 121.316 0.579 . . . . 0.0 110.447 -175.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -77.53 165.31 24.49 Favored 'General case' 0 C--N 1.288 -2.085 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.999 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.4 p -58.47 -35.85 72.81 Favored 'General case' 0 C--N 1.305 -1.348 0 C-N-CA 124.359 1.064 . . . . 0.0 111.075 178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.43 -45.11 89.14 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 123.456 0.702 . . . . 0.0 110.81 176.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -74.13 -38.64 63.72 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -58.28 -42.56 86.84 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.005 176.197 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -53.71 -45.69 70.52 Favored 'General case' 0 N--CA 1.492 1.655 0 C-N-CA 124.404 1.082 . . . . 0.0 110.531 177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -59.06 -41.35 87.72 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.336 177.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.433 ' CE2' HD11 ' A' ' 55' ' ' LEU . 20.1 t80 -70.12 -38.17 75.5 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.325 176.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -62.55 -41.28 98.8 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-O 121.347 0.594 . . . . 0.0 110.585 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -62.67 -46.05 89.98 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.939 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.639 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 36.2 t80 -54.89 -54.55 41.07 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.396 177.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.444 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 85.5 mt -57.13 -45.21 83.71 Favored 'General case' 0 C--O 1.245 0.845 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.08 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.9 -42.69 94.87 Favored Glycine 0 CA--C 1.504 -0.621 0 CA-C-N 114.352 -1.295 . . . . 0.0 111.313 178.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.59 -29.37 68.71 Favored 'General case' 0 N--CA 1.423 -1.781 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.639 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 66.6 mm-40 -80.0 -44.21 20.6 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 142.98 45.15 0.05 OUTLIER Glycine 0 C--N 1.3 -1.431 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.066 174.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 24.0 t -131.62 125.13 55.51 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.964 0 N-CA-C 108.814 -0.809 . . . . 0.0 108.814 -178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 44.5 mt-10 -90.74 131.99 36.09 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 174.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.9 OUTLIER -97.05 109.03 21.87 Favored 'General case' 0 C--N 1.293 -1.859 0 C-N-CA 119.618 -0.833 . . . . 0.0 110.628 179.402 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.548 HG13 HG22 ' A' ' 30' ' ' THR . 17.5 pt -91.02 174.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 175.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.456 ' O ' ' HB ' ' A' ' 30' ' ' THR . 7.9 t -74.17 -82.32 0.06 Allowed 'General case' 0 C--N 1.306 -1.301 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.319 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 167.81 -31.0 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.183 0 C-N-CA 126.722 2.009 . . . . 0.0 106.593 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -68.46 -3.37 11.18 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 114.779 -1.1 . . . . 0.0 110.085 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 13.5 pt-20 -139.76 147.51 40.93 Favored 'General case' 0 N--CA 1.413 -2.291 0 N-CA-C 105.726 -1.953 . . . . 0.0 105.726 178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.443 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 44.3 tt0 162.95 123.95 0.0 OUTLIER 'General case' 0 C--N 1.299 -1.603 0 O-C-N 125.554 1.784 . . . . 0.0 109.194 176.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 15.3 t -171.55 -11.87 0.01 OUTLIER 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 175.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.0 pm0 -65.47 -25.69 67.6 Favored 'General case' 0 C--N 1.3 -1.549 0 CA-C-O 122.14 0.971 . . . . 0.0 110.498 177.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -113.04 -0.53 14.7 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.772 -1.103 . . . . 0.0 110.879 -175.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 62.4 mt -84.77 70.31 10.81 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 122.078 0.942 . . . . 0.0 112.72 -176.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -130.22 6.26 4.92 Favored 'General case' 0 C--N 1.301 -1.51 0 CA-C-N 114.156 -1.384 . . . . 0.0 107.518 173.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 -122.47 136.39 54.88 Favored 'General case' 0 N--CA 1.43 -1.434 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.941 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 23.5 t-80 -79.39 -46.62 17.23 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 104.952 -2.24 . . . . 0.0 104.952 171.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 20.5 t-80 . . . . . 0 N--CA 1.437 -1.079 0 N-CA-C 104.36 -2.459 . . . . 0.0 104.36 174.151 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 4' ' ' GLN . . . . . . . . 0 CA--C 1.515 -0.393 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -86.21 -47.94 9.0 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.099 0.476 . . . . 0.0 111.069 -175.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 46.6 mttp -104.04 -31.34 9.74 Favored 'General case' 0 C--N 1.296 -1.724 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.395 -178.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.589 ' O ' ' HB3' ' A' ' 1' ' ' ALA . 19.7 tp60 -102.11 145.43 29.36 Favored 'General case' 0 C--N 1.315 -0.901 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -69.02 142.3 54.63 Favored 'General case' 0 N--CA 1.434 -1.232 0 N-CA-C 109.371 -0.604 . . . . 0.0 109.371 171.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -75.33 124.49 27.2 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 75.37 78.96 0.1 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 125.174 1.389 . . . . 0.0 110.45 -176.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.7 m -164.25 174.12 11.53 Favored 'General case' 0 C--N 1.305 -1.338 0 N-CA-C 101.641 -3.466 . . . . 0.0 101.641 -178.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.59 133.27 42.23 Favored 'General case' 0 C--N 1.309 -1.156 0 CA-C-N 120.755 1.616 . . . . 0.0 107.913 172.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.533 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -134.17 171.0 14.84 Favored 'General case' 0 C--N 1.311 -1.087 0 C-N-CA 119.814 -0.755 . . . . 0.0 111.139 -176.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.613 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 20.8 p -101.13 179.47 4.36 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -60.19 -39.99 88.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 123.048 1.404 . . . . 0.0 111.064 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -66.93 -34.22 77.3 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 112.364 -2.198 . . . . 0.0 113.064 176.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.613 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 11.6 mm100 -77.95 -36.39 49.29 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.369 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.542 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 48.3 t -71.81 -36.82 59.84 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.719 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.713 -178.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -54.41 -46.82 73.22 Favored 'General case' 0 N--CA 1.423 -1.817 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 172.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.3 -27.07 69.08 Favored 'General case' 0 C--N 1.307 -1.275 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 177.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.542 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.0 pt20 -72.05 -49.28 37.96 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 -177.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.456 ' O ' HD11 ' A' ' 29' ' ' LEU . 65.9 mt -66.67 -40.27 88.52 Favored 'General case' 0 N--CA 1.415 -2.186 0 CA-C-N 113.135 -1.848 . . . . 0.0 111.482 -176.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.54 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 15.8 m -58.5 -49.63 76.68 Favored 'General case' 0 C--N 1.308 -1.236 0 O-C-N 124.163 0.914 . . . . 0.0 109.603 177.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.513 ' HG2' ' HE3' ' A' ' 25' ' ' LYS . 35.9 tt0 -61.92 -43.19 99.36 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.939 -177.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 m -63.73 -45.84 88.09 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 114.889 -1.051 . . . . 0.0 110.466 -179.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.31 -32.91 85.76 Favored Glycine 0 C--O 1.208 -1.486 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.806 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 20' ' ' THR . 26.7 mmmt -65.38 -31.6 72.8 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.513 ' HE3' ' HG2' ' A' ' 21' ' ' GLU . 91.9 mttt -74.85 -42.26 58.29 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.848 0.832 . . . . 0.0 110.011 178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -84.44 -49.72 8.41 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 122.54 1.162 . . . . 0.0 112.663 -173.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.93 8.89 41.2 Favored Glycine 0 N--CA 1.425 -2.056 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 -173.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.604 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.7 p -164.15 157.22 1.72 Allowed 'Isoleucine or valine' 0 N--CA 1.427 -1.61 0 CA-C-N 115.23 -0.485 . . . . 0.0 110.427 -174.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.456 HD11 ' O ' ' A' ' 19' ' ' LEU . 62.9 mt -151.06 142.05 23.01 Favored 'General case' 0 C--N 1.312 -1.052 0 C-N-CA 124.694 1.198 . . . . 0.0 108.603 175.6 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.409 ' HA ' HG13 ' A' ' 63' ' ' ILE . 20.5 p -76.08 143.93 41.02 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 118.246 0.475 . . . . 0.0 110.015 171.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.431 ' CD1' ' HA ' ' A' ' 64' ' ' SER . 38.2 m-85 -57.96 -35.36 71.05 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 120.89 0.376 . . . . 0.0 110.418 176.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -72.83 -33.41 66.16 Favored 'General case' 0 N--CA 1.442 -0.854 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -174.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 30' ' ' THR . 12.9 pt-20 -74.35 -29.89 61.77 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 119.229 -0.989 . . . . 0.0 108.593 -178.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.425 HG23 HD13 ' A' ' 19' ' ' LEU . 87.7 mt -67.71 -42.53 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.805 0 CA-C-N 114.524 -1.216 . . . . 0.0 109.187 176.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.14 -33.91 76.45 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 123.725 0.81 . . . . 0.0 110.551 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -57.97 -55.29 36.78 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.047 -0.978 . . . . 0.0 111.52 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 -69.74 -27.42 64.94 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.366 0.603 . . . . 0.0 110.053 -177.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.8 mmt -83.24 -0.37 49.16 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.074 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.8 t -80.47 -15.8 55.88 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 176.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 26.4 t -70.26 -23.99 62.99 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -104.06 -36.15 7.82 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.549 178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 79.13 72.6 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 126.098 1.759 . . . . 0.0 109.714 -175.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.4 mm -101.36 130.85 50.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 113.756 -1.565 . . . . 0.0 108.793 -179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -79.22 162.17 25.88 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.738 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.425 ' HA ' ' HB2' ' A' ' 48' ' ' MET . 13.2 t -62.02 -25.69 67.8 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 120.802 0.334 . . . . 0.0 110.821 -176.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.75 -49.11 77.66 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.4 0.68 . . . . 0.0 110.157 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -79.08 -29.54 43.42 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.361 -177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.515 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 0.5 OUTLIER -61.36 -39.84 92.09 Favored 'General case' 0 C--O 1.214 -0.775 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.105 177.276 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -57.26 -39.88 76.51 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.462 0.705 . . . . 0.0 110.972 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -70.12 -30.74 68.0 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.642 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.5 t80 -71.1 -35.79 71.94 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 173.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -62.08 -39.48 92.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.905 0.384 . . . . 0.0 110.985 -179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 38.0 tt0 -63.34 -45.9 89.09 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.511 175.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.445 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 44.9 t80 -55.53 -49.96 71.26 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.321 179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.496 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.7 mt -57.11 -42.4 80.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.374 178.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.63 -40.65 99.04 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 114.316 -1.311 . . . . 0.0 111.782 177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 52.0 mt-10 -65.2 -32.59 74.34 Favored 'General case' 0 N--CA 1.432 -1.353 0 CA-C-O 120.875 0.369 . . . . 0.0 111.709 178.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 28.2 mm-40 -77.93 -42.33 33.41 Favored 'General case' 0 C--N 1.346 0.426 0 N-CA-C 108.347 -0.982 . . . . 0.0 108.347 179.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.06 49.4 0.08 OUTLIER Glycine 0 C--N 1.308 -1.005 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.564 174.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.496 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 22.0 t -130.78 130.31 64.35 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.604 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 43.3 mt-10 -94.64 143.86 26.09 Favored 'General case' 0 C--N 1.296 -1.72 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 173.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -106.71 119.67 39.95 Favored 'General case' 0 C--N 1.288 -2.104 0 C-N-CA 119.454 -0.899 . . . . 0.0 111.363 -178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 30' ' ' THR . 9.4 pt -93.32 174.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.286 0 N-CA-C 108.274 -1.009 . . . . 0.0 108.274 175.056 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.431 ' HA ' ' CD1' ' A' ' 31' ' ' TYR . 45.9 t -79.04 -82.01 0.1 Allowed 'General case' 0 C--N 1.293 -1.85 0 C-N-CA 120.441 -0.504 . . . . 0.0 111.474 -178.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 161.97 -35.42 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 104.254 -2.499 . . . . 0.0 104.254 -177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -72.79 -0.12 12.45 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.002 -1.453 . . . . 0.0 108.785 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -146.46 151.36 37.27 Favored 'General case' 0 N--CA 1.418 -2.062 0 N-CA-C 106.389 -1.708 . . . . 0.0 106.389 174.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 179.92 138.36 0.12 Allowed 'General case' 0 C--N 1.288 -2.072 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 178.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.2 t -150.56 72.61 1.1 Allowed 'General case' 0 N--CA 1.403 -2.811 0 CA-C-O 122.906 1.336 . . . . 0.0 111.162 178.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -138.69 -31.08 0.74 Allowed 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 113.767 -1.56 . . . . 0.0 108.817 171.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -107.94 2.73 23.52 Favored 'General case' 0 C--O 1.217 -0.638 0 CA-C-O 121.407 0.622 . . . . 0.0 111.177 -176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.5 mt -67.84 -29.93 69.19 Favored 'General case' 0 C--N 1.313 -1.007 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -86.34 -6.56 58.92 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.587 0.708 . . . . 0.0 110.662 179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -99.09 104.96 17.01 Favored 'General case' 0 N--CA 1.433 -1.309 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -97.52 -57.59 2.21 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 -178.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 . . . . . 0 C--N 1.314 -0.956 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 178.581 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.503 0 CA-C-O 120.364 0.126 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.49 ' OD2' ' HG2' ' A' ' 3' ' ' LYS . 11.4 t70 178.71 -52.14 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -178.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.49 ' HG2' ' OD2' ' A' ' 2' ' ' ASP . 41.6 mmtm -139.13 170.79 15.32 Favored 'General case' 0 CA--C 1.496 -1.1 0 N-CA-C 105.998 -1.853 . . . . 0.0 105.998 175.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.5 pt20 -64.43 127.13 30.16 Favored 'General case' 0 C--N 1.308 -1.198 0 O-C-N 123.831 0.707 . . . . 0.0 110.508 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.3 p -107.93 -6.13 16.8 Favored 'General case' 0 C--N 1.284 -2.254 0 CA-C-N 115.468 -0.787 . . . . 0.0 111.039 -177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -136.46 129.52 31.23 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 62.55 -175.14 0.14 Allowed 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 16.9 p -104.26 12.55 33.54 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-O 121.668 0.747 . . . . 0.0 111.7 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -126.04 135.11 51.4 Favored 'General case' 0 N--CA 1.419 -2.01 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 175.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.575 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -99.19 172.1 7.58 Favored 'General case' 0 C--N 1.287 -2.136 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 -170.543 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.434 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 64.6 p -98.88 177.44 5.27 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -60.93 -39.3 88.93 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-O 122.456 1.122 . . . . 0.0 110.457 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.458 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 57.7 m-20 -64.69 -40.11 94.82 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 112.76 -2.018 . . . . 0.0 112.543 175.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 19.8 mm-40 -74.87 -35.21 62.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.33 0.586 . . . . 0.0 110.177 -176.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 78.1 t -71.25 -39.93 73.48 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.294 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.332 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 46.6 mtmt -56.46 -47.18 79.71 Favored 'General case' 0 N--CA 1.422 -1.846 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 173.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -63.78 -26.19 68.52 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.3 pt20 -70.75 -48.69 53.1 Favored 'General case' 0 C--N 1.376 1.723 0 CA-C-O 122.732 1.253 . . . . 0.0 107.995 178.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.467 ' O ' HD11 ' A' ' 29' ' ' LEU . 49.4 mt -67.25 -41.78 85.02 Favored 'General case' 0 N--CA 1.407 -2.582 0 CA-C-N 112.899 -1.955 . . . . 0.0 111.964 -177.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.491 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 21.1 m -57.86 -53.13 61.73 Favored 'General case' 0 C--N 1.312 -1.059 0 O-C-N 124.007 0.817 . . . . 0.0 110.432 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.0 tt0 -64.06 -40.2 95.76 Favored 'General case' 0 C--N 1.314 -0.963 0 O-C-N 123.667 0.605 . . . . 0.0 111.074 -174.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.442 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 59.4 m -62.54 -43.95 97.54 Favored 'General case' 0 C--N 1.309 -1.179 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.305 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.76 -35.25 89.44 Favored Glycine 0 C--O 1.211 -1.341 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.813 178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 20' ' ' THR . 25.7 mmmt -63.05 -36.4 83.45 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 124.033 0.49 . . . . 0.0 111.337 178.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.6 mtpp -75.45 -40.94 56.88 Favored 'General case' 0 CA--C 1.506 -0.738 0 CA-C-O 121.499 0.666 . . . . 0.0 110.902 -178.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.442 ' HG3' ' O ' ' A' ' 22' ' ' SER . 91.7 mtt180 -80.17 -50.46 10.25 Favored 'General case' 0 C--N 1.309 -1.17 0 CA-C-O 122.307 1.051 . . . . 0.0 111.004 -176.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.1 1.12 30.0 Favored Glycine 0 N--CA 1.419 -2.461 0 CA-C-N 113.496 -1.684 . . . . 0.0 109.264 -174.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.419 HG21 HG23 ' A' ' 63' ' ' ILE . 7.6 p -162.25 155.3 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.608 0 CA-C-O 120.697 0.284 . . . . 0.0 110.996 -174.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.467 HD11 ' O ' ' A' ' 19' ' ' LEU . 50.2 mt -142.06 147.97 37.67 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 124.497 1.119 . . . . 0.0 109.009 175.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.458 HG22 HG13 ' A' ' 63' ' ' ILE . 43.5 p -79.25 151.36 31.21 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 171.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -64.73 -37.82 88.91 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.587 0.708 . . . . 0.0 109.848 177.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.77 -27.46 55.31 Favored 'General case' 0 N--CA 1.434 -1.262 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -172.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -72.44 -30.65 64.78 Favored 'General case' 0 C--O 1.244 0.776 0 N-CA-C 107.737 -1.209 . . . . 0.0 107.737 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.473 ' O ' ' HG2' ' A' ' 38' ' ' MET . 92.3 mt -67.89 -41.38 84.81 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.567 0 CA-C-N 114.15 -1.386 . . . . 0.0 109.803 177.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.74 -41.0 84.08 Favored 'General case' 0 N--CA 1.437 -1.12 0 C-N-CA 124.138 0.975 . . . . 0.0 110.247 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.67 -44.2 93.68 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 114.523 -1.217 . . . . 0.0 112.023 -174.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.8 mmt-85 -69.46 -31.28 69.48 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 122.164 -0.335 . . . . 0.0 111.032 178.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.473 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -82.81 1.28 39.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.465 -176.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.9 m -74.5 -11.89 60.34 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.05 0.452 . . . . 0.0 111.202 -179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.0 p -80.14 -27.43 39.08 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-O 121.819 0.819 . . . . 0.0 109.473 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -98.54 -168.12 1.6 Allowed 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.669 -1.151 . . . . 0.0 107.936 178.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -124.66 81.4 1.94 Allowed 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.351 -1.351 . . . . 0.0 107.351 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.473 HG22 ' HG2' ' A' ' 48' ' ' MET . 32.1 mm -107.02 116.87 51.69 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.479 0 CA-C-O 121.81 0.814 . . . . 0.0 111.087 -173.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -78.41 161.56 27.06 Favored 'General case' 0 C--N 1.283 -2.317 0 CA-C-N 114.243 -1.344 . . . . 0.0 110.205 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 56.7 m -57.2 -32.43 66.47 Favored 'General case' 0 C--N 1.305 -1.34 0 C-N-CA 123.583 0.753 . . . . 0.0 112.696 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.89 -41.94 86.35 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-O 121.239 0.542 . . . . 0.0 109.936 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -67.23 -39.63 86.24 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.266 -0.879 . . . . 0.0 109.039 178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.473 ' HG2' HG22 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -64.47 -43.62 93.63 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.473 177.211 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -56.17 -44.75 79.64 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.102 0.561 . . . . 0.0 110.796 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -61.08 -38.34 85.9 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.549 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -69.92 -39.92 75.86 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 116.11 -0.495 . . . . 0.0 109.759 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -61.18 -44.56 97.11 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-O 121.132 0.491 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.91 -40.05 91.12 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.105 -0.952 . . . . 0.0 110.07 178.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.502 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 38.9 t80 -56.75 -49.63 74.67 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.165 178.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.505 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.0 mt -57.72 -45.67 85.44 Favored 'General case' 0 C--O 1.248 0.995 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.48 178.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -56.7 -42.4 91.12 Favored Glycine 0 CA--C 1.507 -0.439 0 CA-C-N 114.308 -1.314 . . . . 0.0 111.261 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -64.88 -34.48 78.48 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 75.2 mm-40 -79.85 -38.92 31.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.402 -178.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.87 40.35 0.1 OUTLIER Glycine 0 C--N 1.301 -1.383 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.17 172.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.505 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 41.8 t -126.49 127.27 70.25 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.29 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 -177.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -90.24 166.08 13.55 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 58.3 mt -125.07 115.75 21.0 Favored 'General case' 0 C--N 1.289 -2.032 0 CA-C-O 121.134 0.492 . . . . 0.0 111.832 -174.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.458 HG13 HG22 ' A' ' 30' ' ' THR . 16.0 pt -101.46 176.56 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.629 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 175.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.628 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . 7.7 t -79.22 -75.23 0.25 Allowed 'General case' 0 N--CA 1.425 -1.692 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.879 -175.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.445 ' HA ' HG21 ' A' ' 30' ' ' THR . 1.1 tm-20 163.17 -19.28 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 126.719 2.008 . . . . 0.0 107.407 -176.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -83.59 -11.72 56.97 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-O 122.498 1.142 . . . . 0.0 109.685 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.628 ' OE2' ' HB3' ' A' ' 64' ' ' SER . 0.8 OUTLIER -129.14 163.43 25.52 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 113.657 -1.611 . . . . 0.0 107.732 179.478 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.564 ' HG2' ' H ' ' A' ' 69' ' ' THR . 7.6 tt0 163.78 -162.1 0.0 OUTLIER 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 102.534 -3.136 . . . . 0.0 102.534 176.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.564 ' H ' ' HG2' ' A' ' 68' ' ' GLU . 21.2 p -99.14 20.84 12.71 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 122.06 0.933 . . . . 0.0 108.952 175.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.424 ' HG3' ' HB3' ' A' ' 68' ' ' GLU . 0.0 OUTLIER -62.8 -17.73 61.63 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 115.051 1.5 . . . . 0.0 115.051 -175.518 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -88.5 -14.03 38.78 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 122.489 1.138 . . . . 0.0 109.545 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.5 mt -93.74 -15.05 25.6 Favored 'General case' 0 C--N 1.294 -1.843 0 CA-C-N 113.974 -1.467 . . . . 0.0 109.064 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -76.41 121.32 22.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.122 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 78.6 m80 -134.37 90.59 2.69 Favored 'General case' 0 C--N 1.306 -1.308 0 N-CA-C 108.38 -0.971 . . . . 0.0 108.38 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -170.14 154.78 5.14 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 -177.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 32.6 m170 . . . . . 0 C--O 1.248 1.022 0 C-N-CA 124.315 1.046 . . . . 0.0 110.009 -177.43 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.633 ' HA ' ' OE1' ' A' ' 4' ' ' GLN . . . . . . . . 0 C--O 1.239 0.541 0 CA-C-O 120.942 0.401 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -135.96 -32.78 0.87 Allowed 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.153 0.502 . . . . 0.0 110.842 178.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 41.9 mttm -86.93 -8.08 57.58 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.74 0.781 . . . . 0.0 110.252 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.633 ' OE1' ' HA ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -133.16 134.39 44.09 Favored 'General case' 0 N--CA 1.421 -1.885 0 CA-C-N 115.043 -0.981 . . . . 0.0 108.896 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.9 p -131.59 -174.9 3.54 Favored 'General case' 0 C--N 1.286 -2.184 0 N-CA-C 105.67 -1.974 . . . . 0.0 105.67 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 m-70 -79.61 -4.91 53.7 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.886 0.851 . . . . 0.0 109.627 174.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -97.5 16.11 21.24 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.136 177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m -132.98 147.2 52.28 Favored 'General case' 0 N--CA 1.408 -2.531 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.02 111.31 20.17 Favored 'General case' 0 C--N 1.28 -2.416 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 167.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.662 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.2 OUTLIER -89.42 -174.94 4.56 Favored 'General case' 0 C--N 1.288 -2.107 0 CA-C-N 114.768 -1.106 . . . . 0.0 108.894 -169.698 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.65 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 14.6 p -100.93 172.54 6.97 Favored 'General case' 0 N--CA 1.431 -1.41 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 178.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -62.39 -36.32 81.96 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 122.217 1.008 . . . . 0.0 110.618 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.85 -40.62 95.45 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 113.334 -1.757 . . . . 0.0 111.659 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.65 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 11.1 mm100 -71.73 -37.44 70.61 Favored 'General case' 0 N--CA 1.437 -1.098 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 -174.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 65.8 t -72.82 -37.28 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.433 0 CA-C-N 114.66 -1.154 . . . . 0.0 108.961 -177.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -55.47 -49.58 72.11 Favored 'General case' 0 N--CA 1.42 -1.938 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.167 172.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -63.73 -27.31 69.12 Favored 'General case' 0 C--N 1.313 -1.011 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.553 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.3 pt20 -71.54 -49.78 37.46 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.469 HD13 HG23 ' A' ' 34' ' ' ILE . 24.9 mt -67.48 -39.84 85.25 Favored 'General case' 0 N--CA 1.408 -2.529 0 CA-C-N 113.608 -1.633 . . . . 0.0 112.555 -178.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.477 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 18.3 m -57.95 -51.95 67.51 Favored 'General case' 0 C--N 1.315 -0.922 0 O-C-N 123.723 0.64 . . . . 0.0 109.734 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.641 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 35.1 tt0 -63.32 -40.92 98.66 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.473 0.654 . . . . 0.0 110.592 -177.066 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.8 m -64.13 -41.34 97.25 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.918 -1.037 . . . . 0.0 111.161 -177.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.52 -34.87 85.5 Favored Glycine 0 C--O 1.199 -2.087 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.477 ' HG2' ' O ' ' A' ' 20' ' ' THR . 28.4 mmmt -66.58 -29.23 69.24 Favored 'General case' 0 C--N 1.313 -0.984 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 178.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.641 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 29.2 mtpp -75.69 -37.93 59.08 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.431 0.634 . . . . 0.0 110.514 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.4 mtp180 -86.98 -47.17 9.18 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-N 114.975 -1.011 . . . . 0.0 113.046 -175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.49 -0.05 46.51 Favored Glycine 0 N--CA 1.422 -2.267 0 N-CA-C 108.541 -1.824 . . . . 0.0 108.541 -172.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.1 p -157.54 159.23 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.714 0 CA-C-N 115.291 -0.455 . . . . 0.0 111.004 -172.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.504 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 59.7 mt -153.4 139.24 18.04 Favored 'General case' 0 C--N 1.309 -1.178 0 C-N-CA 125.071 1.348 . . . . 0.0 107.982 174.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.659 HG22 HG13 ' A' ' 63' ' ' ILE . 48.1 p -79.77 147.29 31.91 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 171.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -55.3 -41.65 72.61 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -85.62 -11.94 52.67 Favored 'General case' 0 N--CA 1.437 -1.116 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -172.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.2 pt-20 -80.49 -27.91 37.66 Favored 'General case' 0 C--O 1.237 0.405 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.469 HG23 HD13 ' A' ' 19' ' ' LEU . 84.6 mt -69.09 -41.94 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.606 0 CA-C-N 114.036 -1.438 . . . . 0.0 108.255 175.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.75 -31.16 70.89 Favored 'General case' 0 N--CA 1.426 -1.671 0 C-N-CA 124.417 1.087 . . . . 0.0 110.617 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.63 -50.53 72.2 Favored 'General case' 0 CA--C 1.508 -0.649 0 C-N-CA 124.306 1.043 . . . . 0.0 109.243 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 59.1 mmt-85 -68.34 -32.31 72.33 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.865 0.84 . . . . 0.0 108.79 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.437 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 22.6 mmt -81.67 1.24 35.06 Favored 'General case' 0 N--CA 1.435 -1.189 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.63 -178.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.1 m -76.39 -16.1 59.79 Favored 'General case' 0 N--CA 1.449 -0.524 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -68.98 -33.98 74.56 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 108.289 -1.004 . . . . 0.0 108.289 175.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' HB2' HG12 ' A' ' 43' ' ' ILE . 38.3 m-85 -98.39 -19.52 17.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.537 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 57.47 62.51 2.13 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.489 1.137 . . . . 0.0 110.061 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.55 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 39.5 mm -72.47 140.09 18.57 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.246 0 CA-C-N 113.761 -1.563 . . . . 0.0 112.135 -175.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -73.05 156.13 39.08 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.037 176.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.7 t -58.6 -31.39 68.01 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.054 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -57.91 -57.15 14.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.301 1.04 . . . . 0.0 109.857 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.55 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 9.1 mt-30 -67.22 -33.06 74.57 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.854 -177.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.579 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.4 mmt -64.41 -47.87 77.54 Favored 'General case' 0 C--O 1.211 -0.968 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.76 178.474 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -58.21 -43.59 87.74 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.772 0.829 . . . . 0.0 110.421 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -55.9 -46.95 78.23 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.531 -1.213 . . . . 0.0 109.996 176.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' CE1' HD11 ' A' ' 55' ' ' LEU . 21.2 t80 -69.24 -34.81 75.39 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.722 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -62.47 -43.53 98.6 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.887 0.375 . . . . 0.0 111.12 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.4 tp10 -64.11 -40.28 95.87 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.471 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 51.9 t80 -58.94 -51.44 70.05 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.398 177.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.431 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 80.9 mt -58.16 -42.62 86.37 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.147 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.52 -42.48 95.97 Favored Glycine 0 N--CA 1.442 -0.904 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.552 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 46.2 mt-10 -66.03 -30.5 71.05 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 178.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 26.9 mm-40 -75.75 -47.3 26.53 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 108.514 -0.921 . . . . 0.0 108.514 179.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 136.47 54.52 0.06 OUTLIER Glycine 0 C--N 1.301 -1.396 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 176.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.431 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.9 t -139.51 126.01 23.47 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.525 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 -176.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -96.54 128.69 43.72 Favored 'General case' 0 C--N 1.275 -2.653 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 178.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mm? -92.08 103.76 16.22 Favored 'General case' 0 C--N 1.266 -3.061 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.125 -178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.659 HG13 HG22 ' A' ' 30' ' ' THR . 31.0 pt -87.86 165.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.052 0 CA-C-O 121.544 0.688 . . . . 0.0 111.853 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.4 t -98.0 18.9 14.93 Favored 'General case' 0 C--N 1.3 -1.585 0 CA-C-N 115.162 -0.926 . . . . 0.0 112.495 -173.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 74.89 -33.7 0.25 Allowed 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.228 1.011 . . . . 0.0 112.991 175.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 58.1 t30 -74.93 -27.6 60.26 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 122.082 0.944 . . . . 0.0 110.811 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -97.11 -170.94 2.11 Favored 'General case' 0 C--N 1.27 -2.887 0 CA-C-N 114.496 -1.229 . . . . 0.0 111.015 -174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 74.53 166.25 0.29 Allowed 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.933 1.693 . . . . 0.0 111.344 175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 26.7 p -87.15 1.62 52.45 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.573 0.701 . . . . 0.0 111.928 -173.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -78.16 8.21 5.21 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -175.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -69.05 -26.49 65.0 Favored 'General case' 0 C--N 1.308 -1.198 0 CA-C-O 122.624 1.202 . . . . 0.0 109.02 174.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.9 mt -91.28 3.65 54.32 Favored 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 113.282 -1.781 . . . . 0.0 110.041 179.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -128.89 -178.11 4.48 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.437 -176.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -138.36 130.35 28.38 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -132.63 119.81 20.93 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 172.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 . . . . . 0 C--N 1.286 -2.177 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 -177.617 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.926 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.432 ' OD1' ' HG2' ' A' ' 3' ' ' LYS . 18.3 t70 -106.81 -155.75 0.56 Allowed 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.432 ' HG2' ' OD1' ' A' ' 2' ' ' ASP . 16.3 ptpt -85.47 4.06 37.44 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.906 0.86 . . . . 0.0 110.053 -178.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.418 ' HB2' ' HG3' ' A' ' 14' ' ' GLN . 79.1 mt-30 -86.41 17.07 3.98 Favored 'General case' 0 C--O 1.202 -1.395 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.731 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.9 p -87.45 12.83 11.26 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-O 122.276 1.036 . . . . 0.0 111.251 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.4 m80 -106.19 -176.23 3.02 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -80.81 90.06 5.84 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 177.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 66.2 m -149.17 153.98 38.48 Favored 'General case' 0 C--N 1.286 -2.166 0 N-CA-C 105.149 -2.167 . . . . 0.0 105.149 -178.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -60.75 117.91 5.97 Favored 'General case' 0 C--N 1.308 -1.197 0 N-CA-C 109.109 -0.7 . . . . 0.0 109.109 175.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.566 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -105.04 177.32 4.88 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.777 -171.759 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.522 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 76.1 p -101.17 176.28 5.31 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-N 115.504 -0.771 . . . . 0.0 109.339 177.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.494 ' HE1' HD13 ' A' ' 43' ' ' ILE . 49.5 t80 -61.9 -39.5 92.19 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 122.561 1.172 . . . . 0.0 110.768 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 4.1 m-20 -65.34 -36.58 84.47 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.04 -1.891 . . . . 0.0 112.801 175.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.522 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 26.6 mm-40 -75.18 -35.72 61.54 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-O 121.152 0.501 . . . . 0.0 110.304 -177.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.417 HG23 ' HB2' ' A' ' 10' ' ' LEU . 47.9 t -71.07 -39.51 74.52 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.519 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 -178.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 41.9 mtmt -55.09 -52.11 64.26 Favored 'General case' 0 N--CA 1.42 -1.952 0 O-C-N 123.804 0.69 . . . . 0.0 109.449 171.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 13' ' ' ASP . 45.2 mt-10 -62.67 -26.08 68.47 Favored 'General case' 0 CA--C 1.558 1.271 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -69.05 -57.07 5.92 Favored 'General case' 0 N--CA 1.432 -1.37 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' HD11 ' A' ' 29' ' ' LEU . 20.3 mt -63.78 -37.68 88.27 Favored 'General case' 0 C--N 1.286 -2.163 0 CA-C-N 113.265 -1.789 . . . . 0.0 111.603 -178.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.5 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 12.2 m -60.76 -51.33 69.78 Favored 'General case' 0 N--CA 1.423 -1.785 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.323 176.638 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 11.8 tp10 -59.7 -46.02 90.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.499 0.666 . . . . 0.0 110.179 -175.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.8 m -66.35 -45.33 80.57 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.332 -1.304 . . . . 0.0 110.828 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.69 -35.13 91.62 Favored Glycine 0 C--O 1.205 -1.684 0 N-CA-C 111.746 -0.542 . . . . 0.0 111.746 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 26.1 mmmt -63.91 -34.02 77.01 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.098 -0.551 . . . . 0.0 111.867 178.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 57.9 mtpt -76.73 -40.71 47.71 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-O 121.664 0.745 . . . . 0.0 110.175 -179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -75.89 -48.41 21.46 Favored 'General case' 0 C--N 1.31 -1.115 0 CA-C-N 114.703 -1.135 . . . . 0.0 111.132 -176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.24 -0.68 47.1 Favored Glycine 0 N--CA 1.42 -2.381 0 CA-C-N 113.165 -1.834 . . . . 0.0 108.588 -173.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.4 HG22 HG12 ' A' ' 63' ' ' ILE . 7.7 p -158.79 158.52 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.415 -2.185 0 CA-C-N 115.34 -0.43 . . . . 0.0 110.833 -172.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.439 HD11 ' O ' ' A' ' 19' ' ' LEU . 46.7 mt -148.57 136.97 21.25 Favored 'General case' 0 C--N 1.31 -1.137 0 C-N-CA 124.62 1.168 . . . . 0.0 108.77 175.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.49 HG22 HG13 ' A' ' 63' ' ' ILE . 27.4 p -75.68 140.19 42.36 Favored 'General case' 0 C--N 1.306 -1.312 0 CA-C-N 118.18 0.446 . . . . 0.0 110.874 173.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -50.02 -39.95 43.17 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -75.2 -29.88 60.46 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 120.069 -0.652 . . . . 0.0 112.542 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.6 pt-20 -75.71 -28.98 58.81 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 119.186 -1.006 . . . . 0.0 108.297 -178.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.463 HD11 HD12 ' A' ' 62' ' ' LEU . 71.8 mt -65.31 -44.16 94.89 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 114.846 -1.07 . . . . 0.0 108.734 175.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.7 -29.91 69.28 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 123.821 0.848 . . . . 0.0 110.939 178.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -60.57 -54.29 47.24 Favored 'General case' 0 CA--C 1.499 -0.985 0 C-N-CA 124.422 1.089 . . . . 0.0 111.349 -173.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -70.0 -25.99 63.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.615 0.721 . . . . 0.0 109.399 -177.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.526 ' SD ' HD11 ' A' ' 43' ' ' ILE . 22.5 mmt -85.06 -6.57 59.31 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.852 -178.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 52.7 m -67.64 -14.04 62.6 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.3 0.481 . . . . 0.0 112.3 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.8 t -75.63 -33.18 60.49 Favored 'General case' 0 N--CA 1.436 -1.165 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 176.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -89.23 -43.64 10.84 Favored 'General case' 0 CA--C 1.5 -0.968 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.647 -177.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 62.29 78.81 0.28 Allowed 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.826 1.298 . . . . 0.0 108.544 -174.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.526 HD11 ' SD ' ' A' ' 38' ' ' MET . 29.7 mt -86.42 155.79 3.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-N 113.435 -1.712 . . . . 0.0 110.446 -171.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -68.08 155.54 39.35 Favored 'General case' 0 C--O 1.251 1.14 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 173.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.7 t -61.05 -30.32 70.25 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.296 0.569 . . . . 0.0 109.63 179.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.62 -54.69 34.05 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 124.628 1.171 . . . . 0.0 110.934 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.516 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 5.3 mt-30 -70.62 -31.08 67.91 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.837 -176.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.537 ' HA ' ' HE2' ' A' ' 48' ' ' MET . 1.0 OUTLIER -62.61 -50.6 70.63 Favored 'General case' 0 CA--C 1.5 -0.953 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.657 179.419 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -64.71 -38.11 89.86 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.594 0.559 . . . . 0.0 109.925 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.97 -43.39 91.36 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 115.338 -0.847 . . . . 0.0 108.864 176.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -69.79 -38.7 76.77 Favored 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 114.989 -1.005 . . . . 0.0 109.828 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.58 -44.36 97.17 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.238 0.542 . . . . 0.0 110.734 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.12 -40.01 93.9 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.526 177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.544 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 43.0 t80 -58.76 -51.14 71.25 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.26 177.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.7 mt -57.24 -41.72 80.09 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.047 178.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.63 -40.12 97.48 Favored Glycine 0 N--CA 1.446 -0.675 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.589 177.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -64.98 -35.69 81.99 Favored 'General case' 0 N--CA 1.429 -1.502 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.544 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 26.1 mm-40 -76.25 -48.42 20.32 Favored 'General case' 0 N--CA 1.447 -0.602 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 -175.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.06 44.08 0.05 OUTLIER Glycine 0 C--N 1.305 -1.161 0 C-N-CA 120.785 -0.721 . . . . 0.0 111.624 176.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.9 t -129.71 131.68 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -178.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -93.81 138.46 31.95 Favored 'General case' 0 C--N 1.299 -1.593 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.463 HD12 HD11 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -99.74 110.24 22.64 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 119.357 -0.937 . . . . 0.0 109.598 178.154 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.49 HG13 HG22 ' A' ' 30' ' ' THR . 12.2 pt -93.06 166.31 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.427 0 CA-C-O 122.625 1.203 . . . . 0.0 113.864 -178.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.457 ' HB2' ' OE2' ' A' ' 67' ' ' GLU . 2.4 m -98.49 26.58 5.39 Favored 'General case' 0 N--CA 1.403 -2.797 0 CA-C-N 112.615 -2.084 . . . . 0.0 114.765 -175.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.423 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 32.7 tt0 71.4 -52.4 0.69 Allowed 'General case' 0 N--CA 1.501 2.081 0 N-CA-C 115.339 1.607 . . . . 0.0 115.339 170.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -65.13 -22.26 66.91 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 122.072 0.939 . . . . 0.0 110.899 -177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.457 ' OE2' ' HB2' ' A' ' 64' ' ' SER . 13.3 pt-20 -99.8 -172.04 2.16 Favored 'General case' 0 C--N 1.284 -2.281 0 CA-C-N 114.489 -1.232 . . . . 0.0 110.547 -175.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 76.38 144.98 0.08 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.824 1.65 . . . . 0.0 112.469 176.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.2 p -104.46 -15.35 15.4 Favored 'General case' 0 N--CA 1.432 -1.374 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 -171.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -79.18 1.34 24.89 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.484 0.659 . . . . 0.0 110.229 177.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -73.32 -8.04 54.15 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 122.47 1.129 . . . . 0.0 110.31 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.4 mt -75.66 -5.71 46.89 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 114.435 -1.257 . . . . 0.0 110.587 179.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -108.94 148.69 30.31 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.434 178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -95.36 119.34 33.7 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.407 -175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -150.93 127.01 10.47 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.551 178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 21.2 p80 . . . . . 0 C--N 1.286 -2.178 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 170.41 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.969 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -72.01 119.33 16.04 Favored 'General case' 0 CA--C 1.49 -1.342 0 N-CA-C 105.867 -1.901 . . . . 0.0 105.867 171.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -84.66 -67.36 0.8 Allowed 'General case' 0 C--N 1.29 -2.006 0 N-CA-C 112.51 0.559 . . . . 0.0 112.51 -166.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.74 -178.03 3.54 Favored 'General case' 0 C--N 1.297 -1.717 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.517 ' OG1' ' HA ' ' A' ' 10' ' ' LEU . 3.0 p -86.73 127.77 34.99 Favored 'General case' 0 N--CA 1.424 -1.747 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.351 -177.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -65.31 -24.51 67.3 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 125.089 1.356 . . . . 0.0 112.018 -175.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.445 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 1.5 pm0 -70.74 4.52 2.45 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 113.893 1.071 . . . . 0.0 113.893 -179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.0 m 71.31 3.61 4.73 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 124.906 1.282 . . . . 0.0 113.24 174.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -114.13 109.09 17.87 Favored 'General case' 0 C--N 1.276 -2.625 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 171.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.676 ' H ' HD12 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -94.91 -176.33 3.82 Favored 'General case' 0 C--N 1.289 -2.045 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.182 -169.151 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.507 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 80.8 p -100.38 173.39 6.61 Favored 'General case' 0 N--CA 1.42 -1.975 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -59.83 -37.36 79.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 122.819 1.295 . . . . 0.0 110.595 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.479 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 23.8 t0 -64.16 -41.44 97.16 Favored 'General case' 0 CA--C 1.489 -1.387 0 CA-C-N 112.377 -2.192 . . . . 0.0 111.213 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.507 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 24.1 mm-40 -76.42 -33.7 58.8 Favored 'General case' 0 N--CA 1.437 -1.125 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.059 -174.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.574 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.1 t -71.83 -38.99 67.29 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.629 0 CA-C-N 115.201 -0.908 . . . . 0.0 108.638 -179.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HB2' ' HZ2' ' A' ' 16' ' ' LYS . 8.4 mtmp? -56.73 -46.15 81.49 Favored 'General case' 0 N--CA 1.414 -2.25 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 172.122 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.65 -27.99 69.61 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 177.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.574 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.3 pt20 -70.14 -47.78 60.26 Favored 'General case' 0 C--N 1.366 1.324 0 N-CA-C 107.72 -1.215 . . . . 0.0 107.72 179.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' O ' HD11 ' A' ' 29' ' ' LEU . 59.2 mt -66.57 -44.76 81.4 Favored 'General case' 0 N--CA 1.409 -2.523 0 CA-C-N 113.24 -1.8 . . . . 0.0 111.743 -178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 19.7 m -57.78 -52.65 64.59 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.221 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 11.0 tp10 -61.66 -43.36 99.0 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 123.84 0.712 . . . . 0.0 109.888 -174.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.438 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 19.8 m -62.65 -47.19 84.79 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.856 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.57 -36.02 92.64 Favored Glycine 0 C--O 1.21 -1.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.333 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 20' ' ' THR . 22.0 mmmt -62.83 -34.41 77.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.435 -0.382 . . . . 0.0 111.188 177.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.8 mtpp -74.86 -42.99 56.86 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 121.308 0.575 . . . . 0.0 110.356 179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 22' ' ' SER . 96.4 mtt180 -78.07 -47.05 19.2 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 122.522 1.153 . . . . 0.0 111.26 -174.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.12 6.46 45.33 Favored Glycine 0 N--CA 1.424 -2.113 0 CA-C-N 113.422 -1.717 . . . . 0.0 108.985 -174.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.417 HG21 HG23 ' A' ' 63' ' ' ILE . 9.0 p -164.74 160.87 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.704 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -174.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.492 HD11 ' O ' ' A' ' 19' ' ' LEU . 23.7 mt -148.83 146.72 28.11 Favored 'General case' 0 C--N 1.312 -1.06 0 C-N-CA 124.988 1.315 . . . . 0.0 109.574 176.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.492 ' CG2' ' HA ' ' A' ' 65' ' ' GLU . 54.3 p -80.48 146.06 31.56 Favored 'General case' 0 C--N 1.312 -1.063 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 173.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -61.11 -38.63 87.01 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.62 0.724 . . . . 0.0 109.42 177.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -64.17 -43.06 96.31 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.424 -1.262 . . . . 0.0 113.556 -173.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.97 -27.6 62.88 Favored 'General case' 0 CA--C 1.507 -0.711 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.537 -176.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.458 ' O ' ' HG2' ' A' ' 38' ' ' MET . 97.3 mt -67.7 -42.5 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.414 -2.228 0 CA-C-N 114.433 -1.258 . . . . 0.0 110.223 177.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.94 -36.89 78.47 Favored 'General case' 0 N--CA 1.442 -0.83 0 CA-C-O 121.755 0.788 . . . . 0.0 109.778 177.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.83 -46.95 87.64 Favored 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 125.462 1.505 . . . . 0.0 111.304 -174.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 6.3 mmt180 -72.32 -29.72 64.09 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.172 0.51 . . . . 0.0 111.091 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.6 mmt -83.81 2.8 36.46 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.117 -179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.2 t -78.77 -11.85 60.0 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.7 t -71.42 -37.16 71.49 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 172.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.592 ' HB2' HG12 ' A' ' 43' ' ' ILE . 32.4 m-85 -95.46 -172.29 2.6 Favored 'General case' 0 N--CA 1.419 -1.991 0 CA-C-N 113.873 -1.512 . . . . 0.0 109.187 -179.127 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 0.7 OUTLIER -115.71 34.01 5.17 Favored 'General case' 0 C--N 1.263 -3.171 0 C-N-CA 125.023 1.329 . . . . 0.0 109.59 -174.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.592 HG12 ' HB2' ' A' ' 41' ' ' PHE . 30.6 mm -68.43 120.98 16.79 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.551 -175.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -81.99 165.63 20.53 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 113.75 -1.568 . . . . 0.0 109.609 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -59.42 -35.89 74.85 Favored 'General case' 0 C--N 1.316 -0.858 0 C-N-CA 123.152 0.581 . . . . 0.0 110.559 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -60.15 -41.44 92.78 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-O 121.747 0.784 . . . . 0.0 110.031 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.424 ' HB2' HG23 ' A' ' 43' ' ' ILE . 16.9 mt-30 -79.42 -29.95 42.13 Favored 'General case' 0 N--CA 1.441 -0.9 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.329 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.539 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -65.74 -45.1 83.86 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.307 174.322 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -54.74 -41.28 70.22 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.715 0.806 . . . . 0.0 110.714 177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -58.63 -44.88 90.15 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.433 178.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -69.54 -36.3 76.24 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.476 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -60.99 -44.16 97.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 122.105 -0.372 . . . . 0.0 111.883 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -66.84 -37.56 84.71 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.999 177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -57.94 -51.09 71.07 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.559 178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.438 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 82.0 mt -56.64 -43.14 79.99 Favored 'General case' 0 C--O 1.249 1.046 0 CA-C-N 115.628 -0.715 . . . . 0.0 111.683 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -57.58 -41.34 93.52 Favored Glycine 0 N--CA 1.441 -0.99 0 CA-C-N 113.977 -1.465 . . . . 0.0 111.451 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -65.25 -37.86 88.53 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -77.46 -36.24 53.12 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 -175.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.04 47.63 0.09 OUTLIER Glycine 0 C--N 1.295 -1.743 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.716 173.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 50.9 t -133.12 125.43 51.49 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 -178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.411 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 40.1 mt-10 -87.35 165.19 15.79 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 123.144 0.278 . . . . 0.0 110.278 174.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.8 mt -121.91 117.68 27.05 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.395 0.617 . . . . 0.0 112.424 -175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.435 HG13 ' HA ' ' A' ' 30' ' ' THR . 22.5 pt -106.52 175.35 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.59 174.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.474 ' O ' ' HB ' ' A' ' 30' ' ' THR . 31.5 t -74.69 -81.17 0.07 Allowed 'General case' 0 N--CA 1.43 -1.44 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.492 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 4.2 tm-20 166.88 -39.11 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.013 0 C-N-CA 126.471 1.908 . . . . 0.0 106.047 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -76.2 17.23 0.37 Allowed 'General case' 0 CA--C 1.552 1.022 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.165 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -139.44 177.83 7.64 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 178.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 56.57 -168.28 0.11 Allowed 'General case' 0 N--CA 1.425 -1.714 0 O-C-N 124.354 1.034 . . . . 0.0 113.208 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 11.5 t -160.61 29.15 0.16 Allowed 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 122.302 1.049 . . . . 0.0 110.718 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.98 -20.32 23.43 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.673 0.749 . . . . 0.0 111.193 178.282 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -63.33 -26.54 68.81 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 122.752 1.263 . . . . 0.0 109.988 173.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.2 mt -88.88 2.18 54.14 Favored 'General case' 0 C--N 1.28 -2.433 0 CA-C-N 113.531 -1.668 . . . . 0.0 111.571 -178.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -98.16 -56.24 2.54 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 111.838 0.311 . . . . 0.0 111.838 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -122.76 111.49 16.77 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-O 121.173 0.511 . . . . 0.0 112.337 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -129.92 132.53 46.39 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.6 m80 . . . . . 0 C--N 1.298 -1.665 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 -179.642 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.489 -1.395 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -164.2 -87.48 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.846 0 O-C-N 123.555 0.534 . . . . 0.0 111.728 -174.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.0 tttp -70.09 -56.27 7.32 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 121.164 0.507 . . . . 0.0 109.805 178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.423 ' H ' HD23 ' A' ' 10' ' ' LEU . 42.5 tt0 -93.02 133.5 36.11 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 179.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.69 34.8 4.07 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.357 -174.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -84.46 -27.93 27.16 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -141.71 -178.62 5.74 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 106.084 -1.821 . . . . 0.0 106.084 175.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.4 m -80.09 -13.68 59.1 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-O 122.541 1.162 . . . . 0.0 109.439 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -112.53 162.96 15.05 Favored 'General case' 0 C--N 1.266 -3.064 0 CA-C-N 113.653 -1.612 . . . . 0.0 108.869 -178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.423 HD23 ' H ' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -126.95 177.88 6.33 Favored 'General case' 0 C--N 1.291 -1.968 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 -177.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.454 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 65.2 p -96.4 175.76 6.3 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -64.62 -38.29 90.5 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-O 122.123 0.963 . . . . 0.0 110.857 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -62.38 -40.34 96.15 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 113.408 -1.724 . . . . 0.0 111.057 174.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.454 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 32.1 mm-40 -72.84 -37.67 67.35 Favored 'General case' 0 CA--C 1.496 -1.101 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.491 -176.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.634 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 72.6 t -71.72 -41.77 70.69 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.322 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 -177.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -56.34 -47.3 79.07 Favored 'General case' 0 N--CA 1.424 -1.73 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.821 173.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -62.88 -29.17 70.56 Favored 'General case' 0 C--N 1.306 -1.296 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.634 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 1.6 pt20 -69.93 -48.52 58.19 Favored 'General case' 0 CA--C 1.493 -1.222 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 -178.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.497 ' O ' HD11 ' A' ' 29' ' ' LEU . 43.4 mt -67.02 -41.25 86.96 Favored 'General case' 0 N--CA 1.403 -2.802 0 CA-C-N 113.277 -1.783 . . . . 0.0 111.783 -177.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.454 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 21.8 m -57.31 -53.36 58.95 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 124.021 0.826 . . . . 0.0 110.008 178.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -63.92 -41.5 97.64 Favored 'General case' 0 C--N 1.307 -1.254 0 CA-C-O 121.656 0.741 . . . . 0.0 110.998 -175.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 51.1 m -64.08 -44.57 91.98 Favored 'General case' 0 C--N 1.296 -1.73 0 CA-C-N 114.656 -1.157 . . . . 0.0 110.456 -178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.64 -34.62 89.49 Favored Glycine 0 C--O 1.201 -1.935 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.436 177.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.9 mmmt -65.22 -34.1 77.58 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 113.083 0.771 . . . . 0.0 113.083 177.319 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.37 -40.3 62.19 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.468 0.651 . . . . 0.0 110.133 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.4 ' HE ' ' HG3' ' A' ' 70' ' ' GLU . 78.7 mtp180 -82.19 -54.16 5.49 Favored 'General case' 0 C--N 1.302 -1.477 0 CA-C-O 122.696 1.236 . . . . 0.0 111.766 -176.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.41 1.49 29.46 Favored Glycine 0 N--CA 1.416 -2.684 0 CA-C-N 112.992 -1.913 . . . . 0.0 109.129 -172.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.438 HG22 HG12 ' A' ' 63' ' ' ILE . 7.4 p -157.1 156.26 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.705 0 CA-C-O 120.568 0.223 . . . . 0.0 111.292 -172.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.551 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 61.5 mt -150.27 134.14 16.83 Favored 'General case' 0 C--N 1.311 -1.075 0 C-N-CA 124.87 1.268 . . . . 0.0 108.399 174.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.626 HG22 HG13 ' A' ' 63' ' ' ILE . 46.4 p -72.92 144.71 47.23 Favored 'General case' 0 C--N 1.301 -1.529 0 CA-C-N 118.105 0.411 . . . . 0.0 110.254 173.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -55.17 -38.83 68.82 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 121.467 0.651 . . . . 0.0 110.796 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -80.05 -24.07 40.96 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.4 pt-20 -76.32 -27.05 56.38 Favored 'General case' 0 CA--C 1.515 -0.39 0 C-N-CA 118.391 -1.324 . . . . 0.0 107.778 176.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.435 ' O ' ' HG2' ' A' ' 38' ' ' MET . 96.1 mt -70.48 -40.42 77.41 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 114.23 -1.35 . . . . 0.0 108.617 176.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.12 -35.74 76.74 Favored 'General case' 0 N--CA 1.433 -1.285 0 C-N-CA 124.235 1.014 . . . . 0.0 110.613 -178.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -58.49 -46.8 85.93 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 114.731 -1.122 . . . . 0.0 111.314 -174.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -72.42 -30.54 64.72 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 121.437 0.637 . . . . 0.0 109.349 -177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.435 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 22.0 mmt -83.11 -1.66 53.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.002 -177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.0 m -75.06 -14.5 60.6 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-O 120.975 0.417 . . . . 0.0 110.31 179.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.7 m -73.36 -27.19 61.35 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 174.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.469 ' HB2' HG12 ' A' ' 43' ' ' ILE . 27.2 m-85 -100.32 -159.06 0.71 Allowed 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.299 177.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -129.53 39.86 3.67 Favored 'General case' 0 C--N 1.304 -1.412 0 CA-C-O 121.724 0.774 . . . . 0.0 109.307 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.469 HG12 ' HB2' ' A' ' 41' ' ' PHE . 39.6 mm -71.06 121.41 20.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 114.831 -1.077 . . . . 0.0 111.295 -175.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -75.86 163.13 27.53 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-N 114.292 -1.322 . . . . 0.0 109.072 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -66.08 -29.19 69.48 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.181 -0.304 . . . . 0.0 110.181 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -70.37 -30.93 67.98 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.08 0.467 . . . . 0.0 110.319 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -76.73 -32.55 57.87 Favored 'General case' 0 CA--C 1.513 -0.478 0 CA-C-O 121.797 0.808 . . . . 0.0 109.03 177.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.528 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.3 OUTLIER -66.17 -39.88 90.09 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.532 173.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -60.27 -44.49 95.27 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.434 0.693 . . . . 0.0 111.845 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -65.49 -33.43 75.92 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 120.447 -0.501 . . . . 0.0 109.884 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -70.33 -37.2 74.63 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.96 -41.45 98.01 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.379 0.609 . . . . 0.0 109.989 178.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.1 tp10 -62.57 -43.57 98.49 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 114.662 -1.154 . . . . 0.0 108.92 177.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -59.06 -50.86 72.46 Favored 'General case' 0 C--O 1.24 0.593 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.603 176.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 83.5 mt -57.59 -40.87 79.99 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.772 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.4 -40.12 98.21 Favored Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.715 177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 47.4 mt-10 -63.86 -35.18 79.8 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 116.93 0.365 . . . . 0.0 111.814 178.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.448 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 26.6 mm-40 -77.56 -46.52 22.0 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.17 55.46 0.07 OUTLIER Glycine 0 C--N 1.3 -1.455 0 C-N-CA 120.495 -0.86 . . . . 0.0 111.942 175.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.495 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 31.3 t -133.23 127.37 54.27 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -90.07 134.05 34.48 Favored 'General case' 0 C--N 1.295 -1.775 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.551 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.2 mm? -98.4 106.75 19.07 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.767 -0.773 . . . . 0.0 111.345 -179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.626 HG13 HG22 ' A' ' 30' ' ' THR . 15.2 pt -91.0 174.89 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 178.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.2 m -99.58 16.37 23.59 Favored 'General case' 0 C--N 1.285 -2.235 0 N-CA-C 116.949 2.203 . . . . 0.0 116.949 -170.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.556 ' HA ' HG21 ' A' ' 30' ' ' THR . 27.8 tt0 70.6 -47.1 0.64 Allowed 'General case' 0 N--CA 1.522 3.16 0 C-N-CA 124.756 1.222 . . . . 0.0 113.153 176.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -68.08 -17.1 64.29 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 121.739 0.781 . . . . 0.0 109.337 176.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -118.43 139.78 50.87 Favored 'General case' 0 N--CA 1.401 -2.918 0 N-CA-C 104.81 -2.293 . . . . 0.0 104.81 170.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 9.6 tp10 -162.06 132.85 5.0 Favored 'General case' 0 C--N 1.26 -3.326 0 O-C-N 123.99 0.806 . . . . 0.0 108.827 -176.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 p -91.34 -28.92 17.41 Favored 'General case' 0 C--N 1.29 -2.005 0 CA-C-O 121.953 0.882 . . . . 0.0 110.548 -174.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' HG2' ' OE2' ' A' ' 68' ' ' GLU . 3.3 mm-40 -87.58 4.38 43.93 Favored 'General case' 0 C--N 1.288 -2.078 0 CA-C-N 113.762 -1.563 . . . . 0.0 108.219 -176.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -103.69 -26.13 12.88 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.356 -1.293 . . . . 0.0 109.085 176.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 68' ' ' GLU . 95.9 mt -83.37 -52.91 6.13 Favored 'General case' 0 C--N 1.286 -2.194 0 CA-C-N 113.455 -1.702 . . . . 0.0 107.865 179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -103.54 111.82 24.45 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.481 -178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 66.74 -171.84 0.19 Allowed 'General case' 0 C--O 1.238 0.495 0 O-C-N 124.072 0.857 . . . . 0.0 111.886 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -152.78 174.2 14.35 Favored 'General case' 0 C--N 1.305 -1.36 0 N-CA-C 107.732 -1.211 . . . . 0.0 107.732 175.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 . . . . . 0 C--N 1.294 -1.848 0 N-CA-C 108.339 -0.985 . . . . 0.0 108.339 177.348 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.479 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 70.06 -28.18 0.17 Allowed 'General case' 0 N--CA 1.497 1.893 0 C-N-CA 125.746 1.619 . . . . 0.0 114.706 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -77.35 63.06 2.47 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 -177.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.403 ' HB3' ' HG3' ' A' ' 14' ' ' GLN . 18.0 pt20 -134.38 150.84 50.93 Favored 'General case' 0 C--N 1.304 -1.408 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 175.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -77.64 -51.21 11.0 Favored 'General case' 0 C--N 1.302 -1.489 0 CA-C-O 121.114 0.483 . . . . 0.0 111.266 -176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.5 m80 -130.05 179.75 5.69 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 178.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -83.11 -13.92 54.68 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 113.699 0.999 . . . . 0.0 113.699 -176.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 10.1 m -111.19 6.44 20.68 Favored 'General case' 0 C--N 1.282 -2.354 0 CA-C-O 122.493 1.139 . . . . 0.0 109.818 175.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -130.06 108.88 10.41 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.13 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.443 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -125.84 173.89 8.76 Favored 'General case' 0 N--CA 1.409 -2.518 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -174.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.6 p -99.78 175.51 5.77 Favored 'General case' 0 N--CA 1.413 -2.294 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -60.84 -39.55 89.5 Favored 'General case' 0 N--CA 1.431 -1.407 0 CA-C-O 122.358 1.075 . . . . 0.0 110.846 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -64.4 -39.1 93.21 Favored 'General case' 0 CA--C 1.505 -0.756 0 CA-C-N 113.299 -1.773 . . . . 0.0 112.049 175.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.443 ' CB ' ' HB3' ' A' ' 10' ' ' LEU . 16.5 mm100 -72.02 -37.65 69.74 Favored 'General case' 0 CA--C 1.5 -0.958 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.545 -177.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.507 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 58.0 t -71.99 -42.31 68.4 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.153 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -55.22 -48.06 74.42 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.045 173.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -61.65 -31.11 71.2 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 176.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 6.7 pt20 -69.99 -48.4 58.33 Favored 'General case' 0 C--N 1.365 1.276 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 -178.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.459 ' O ' HD11 ' A' ' 29' ' ' LEU . 20.1 mt -65.64 -40.0 92.04 Favored 'General case' 0 N--CA 1.416 -2.136 0 CA-C-N 113.603 -1.635 . . . . 0.0 111.607 -179.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.436 ' OG1' ' HE2' ' A' ' 54' ' ' PHE . 17.0 m -59.78 -53.0 63.08 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.601 177.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 36.8 tt0 -64.5 -40.65 96.04 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 121.737 0.779 . . . . 0.0 110.717 -176.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.8 m -68.55 -38.85 81.15 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.845 -178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.06 -33.74 87.95 Favored Glycine 0 C--O 1.205 -1.719 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 176.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 20' ' ' THR . 23.8 mmmt -65.93 -34.33 77.88 Favored 'General case' 0 C--N 1.313 -1.02 0 O-C-N 124.12 0.541 . . . . 0.0 112.123 176.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.512 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.7 mtpp -74.99 -40.24 60.8 Favored 'General case' 0 CA--C 1.498 -1.054 0 CA-C-O 121.91 0.862 . . . . 0.0 109.341 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.48 HH11 ' HD3' ' A' ' 26' ' ' ARG . 45.7 mtt180 -76.78 -46.89 23.37 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-N 114.465 -1.243 . . . . 0.0 111.351 -177.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 94.31 13.32 54.5 Favored Glycine 0 N--CA 1.431 -1.638 0 N-CA-C 108.674 -1.77 . . . . 0.0 108.674 -174.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.557 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 14.7 p -172.1 156.96 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.939 0 CA-C-N 114.433 -0.883 . . . . 0.0 109.236 -174.093 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.459 HD11 ' O ' ' A' ' 19' ' ' LEU . 34.9 mt -144.17 136.75 26.87 Favored 'General case' 0 C--N 1.298 -1.658 0 C-N-CA 122.966 0.507 . . . . 0.0 109.797 175.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.571 HG22 HG13 ' A' ' 63' ' ' ILE . 37.1 p -76.64 136.41 39.17 Favored 'General case' 0 N--CA 1.425 -1.697 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 172.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -55.54 -38.01 68.71 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.818 0.447 . . . . 0.0 111.031 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 36' ' ' GLU . 38.4 mt-10 -74.28 -21.48 59.73 Favored 'General case' 0 N--CA 1.437 -1.075 0 CA-C-N 116.07 -0.513 . . . . 0.0 112.301 -176.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -76.1 -45.14 35.42 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 174.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.423 ' O ' ' HG2' ' A' ' 38' ' ' MET . 69.8 mt -58.32 -47.36 87.91 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 114.151 -1.386 . . . . 0.0 110.376 178.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.26 -34.22 75.79 Favored 'General case' 0 N--CA 1.435 -1.211 0 C-N-CA 124.186 0.994 . . . . 0.0 111.609 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.506 ' HB2' ' O ' ' A' ' 32' ' ' GLU . 33.7 tt0 -63.33 -43.91 96.41 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 115.192 -0.913 . . . . 0.0 112.013 -172.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.1 mmt180 -70.72 -26.98 63.64 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.423 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.6 mmt -83.47 -3.46 57.61 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.369 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 m -74.75 -8.57 56.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.429 0.633 . . . . 0.0 110.099 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.8 m -75.49 -21.0 58.4 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 -114.6 -162.93 0.84 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.446 -1.252 . . . . 0.0 107.659 178.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -129.78 80.38 1.96 Allowed 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 122.614 1.197 . . . . 0.0 108.221 175.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.407 HG23 HE21 ' A' ' 47' ' ' GLN . 33.9 mm -101.74 117.24 46.76 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.998 0 CA-C-N 114.924 -1.035 . . . . 0.0 110.409 -174.393 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -71.68 155.19 40.77 Favored 'General case' 0 C--N 1.285 -2.203 0 CA-C-N 113.715 -1.584 . . . . 0.0 109.339 178.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.7 m -60.11 -30.37 69.22 Favored 'General case' 0 C--N 1.291 -1.961 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.866 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -69.88 -34.63 73.8 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.143 0.497 . . . . 0.0 110.317 176.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.407 HE21 HG23 ' A' ' 43' ' ' ILE . 15.4 mt-30 -74.94 -29.19 60.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.707 0.765 . . . . 0.0 109.444 179.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.503 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -69.85 -40.32 75.87 Favored 'General case' 0 C--O 1.208 -1.127 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.495 173.209 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.436 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 22.8 t70 -58.29 -42.78 87.35 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.735 0.814 . . . . 0.0 112.569 -178.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.13 -33.41 75.38 Favored 'General case' 0 C--O 1.245 0.833 0 C-N-CA 120.278 -0.569 . . . . 0.0 110.44 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.3 t80 -69.73 -36.87 76.24 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 175.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.436 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 20.8 m-85 -59.73 -41.61 91.3 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 121.025 0.44 . . . . 0.0 110.645 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.419 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 6.4 tp10 -62.82 -42.9 99.92 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.376 -0.829 . . . . 0.0 108.858 178.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' HE2' ' OG1' ' A' ' 20' ' ' THR . 35.9 t80 -59.34 -49.41 77.93 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.556 178.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.479 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 75.7 mt -57.02 -44.71 83.12 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.788 178.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.73 -38.8 92.64 Favored Glycine 0 C--O 1.242 0.602 0 CA-C-N 114.299 -1.319 . . . . 0.0 111.569 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 8.4 mm-40 -64.67 -36.24 83.63 Favored 'General case' 0 N--CA 1.437 -1.093 0 C-N-CA 123.251 0.62 . . . . 0.0 112.34 177.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -76.14 -35.7 59.1 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.68 33.48 0.48 Allowed Glycine 0 C--N 1.294 -1.781 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.692 176.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.3 t -115.25 126.88 72.94 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.557 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 45.5 mt-10 -95.03 139.87 30.78 Favored 'General case' 0 C--N 1.29 -1.993 0 N-CA-C 107.233 -1.395 . . . . 0.0 107.233 176.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.417 HD12 HD11 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -103.66 123.29 46.72 Favored 'General case' 0 C--N 1.279 -2.469 0 C-N-CA 119.153 -1.019 . . . . 0.0 112.748 -177.357 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.571 HG13 HG22 ' A' ' 30' ' ' THR . 24.9 pt -108.53 179.08 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 174.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.699 ' HB3' ' OE2' ' A' ' 67' ' ' GLU . 8.1 t -78.06 -76.4 0.19 Allowed 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 118.264 0.484 . . . . 0.0 111.73 -176.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' HB2' ' O ' ' A' ' 64' ' ' SER . 13.1 tt0 157.24 -13.63 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 127.258 2.223 . . . . 0.0 108.903 178.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -78.09 -15.92 58.46 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 122.57 1.176 . . . . 0.0 108.354 176.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.699 ' OE2' ' HB3' ' A' ' 64' ' ' SER . 1.6 pm0 -118.04 153.86 32.98 Favored 'General case' 0 N--CA 1.401 -2.879 0 C-N-CA 126.643 1.977 . . . . 0.0 106.511 173.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -178.34 142.07 0.25 Allowed 'General case' 0 C--N 1.285 -2.228 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 p -117.89 -6.19 11.01 Favored 'General case' 0 C--N 1.308 -1.216 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -175.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -88.88 -11.47 44.54 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.613 0.72 . . . . 0.0 109.749 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -124.86 89.23 3.03 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.873 -1.058 . . . . 0.0 108.479 -178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.5 mt -139.51 -58.27 0.58 Allowed 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.597 -178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -90.87 84.38 5.8 Favored 'General case' 0 C--O 1.25 1.101 0 N-CA-C 112.81 0.671 . . . . 0.0 112.81 -177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 179.72 106.07 0.03 OUTLIER 'General case' 0 CA--C 1.512 -0.486 0 O-C-N 124.431 1.082 . . . . 0.0 108.717 175.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -79.36 -41.76 27.12 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 . . . . . 0 N--CA 1.428 -1.57 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 178.034 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.425 0 CA-C-O 120.82 0.343 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -109.41 -165.73 1.04 Allowed 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -86.32 166.92 15.24 Favored 'General case' 0 C--N 1.297 -1.688 0 C-N-CA 124.413 1.085 . . . . 0.0 109.618 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.564 ' HG3' ' HA ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -95.43 105.53 17.51 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 106.334 -1.728 . . . . 0.0 106.334 179.446 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.6 p -99.74 160.27 14.43 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 -174.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.0 m80 74.25 -55.56 0.66 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.631 1.572 . . . . 0.0 111.988 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -96.2 -176.24 3.61 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.953 -1.499 . . . . 0.0 106.953 175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.9 t -131.07 17.28 5.06 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.933 0.873 . . . . 0.0 109.885 175.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -104.74 111.33 24.01 Favored 'General case' 0 N--CA 1.419 -1.984 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 -179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.564 ' HA ' ' HG3' ' A' ' 4' ' ' GLN . 0.1 OUTLIER -99.59 168.68 9.8 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.251 -172.515 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.597 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 21.0 p -95.83 175.08 6.64 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 -177.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -60.8 -38.89 86.89 Favored 'General case' 0 N--CA 1.433 -1.291 0 CA-C-O 122.478 1.132 . . . . 0.0 109.975 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.416 ' O ' ' HG3' ' A' ' 17' ' ' GLU . 12.6 m-20 -67.93 -36.37 80.03 Favored 'General case' 0 CA--C 1.497 -1.06 0 CA-C-N 112.977 -1.92 . . . . 0.0 113.255 174.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.597 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 15.9 mm100 -73.36 -37.22 66.14 Favored 'General case' 0 CA--C 1.513 -0.475 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 -178.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.561 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 76.5 t -72.55 -40.4 62.84 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.666 0 CA-C-N 115.218 -0.901 . . . . 0.0 108.987 -178.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -56.48 -46.32 80.5 Favored 'General case' 0 N--CA 1.422 -1.86 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 172.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 13' ' ' ASP . 50.4 mt-10 -63.16 -28.02 69.77 Favored 'General case' 0 C--N 1.304 -1.398 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 176.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.561 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.8 pt20 -71.76 -50.66 28.05 Favored 'General case' 0 C--N 1.372 1.553 0 CA-C-O 122.184 0.992 . . . . 0.0 108.395 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.479 ' O ' HD11 ' A' ' 29' ' ' LEU . 52.3 mt -66.04 -40.54 91.09 Favored 'General case' 0 N--CA 1.41 -2.457 0 CA-C-N 113.469 -1.696 . . . . 0.0 111.547 -176.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.7 m -58.49 -50.11 74.93 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.207 177.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.573 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -62.67 -43.54 98.54 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 122.004 0.907 . . . . 0.0 108.814 -175.322 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 m -65.87 -44.64 84.81 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.072 -1.422 . . . . 0.0 111.341 -177.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.47 -34.49 90.1 Favored Glycine 0 C--O 1.207 -1.563 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 178.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -67.75 -29.34 68.53 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-N 114.434 -0.883 . . . . 0.0 113.307 177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.9 mtpp -74.16 -43.72 56.3 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-O 121.613 0.72 . . . . 0.0 110.035 178.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -85.75 -51.92 6.12 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 114.497 -1.229 . . . . 0.0 111.949 -173.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.18 14.11 19.48 Favored Glycine 0 N--CA 1.426 -1.991 0 CA-C-N 113.657 -1.61 . . . . 0.0 109.586 -172.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.5 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 7.1 p -168.63 155.66 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.43 -1.426 0 CA-C-N 115.505 -0.347 . . . . 0.0 110.514 -175.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.492 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 53.2 mt -148.44 138.63 22.52 Favored 'General case' 0 C--N 1.309 -1.158 0 C-N-CA 124.746 1.218 . . . . 0.0 108.427 175.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.591 HG22 HG13 ' A' ' 63' ' ' ILE . 39.7 p -75.02 141.99 43.85 Favored 'General case' 0 C--N 1.301 -1.532 0 CA-C-N 118.108 0.413 . . . . 0.0 110.405 173.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -55.38 -43.11 74.85 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-O 121.145 0.497 . . . . 0.0 110.288 178.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.06 -33.9 76.51 Favored 'General case' 0 N--CA 1.435 -1.188 0 CA-C-N 115.401 -0.818 . . . . 0.0 112.994 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 30' ' ' THR . 11.5 pt-20 -74.05 -28.64 61.5 Favored 'General case' 0 CA--C 1.508 -0.635 0 C-N-CA 118.533 -1.267 . . . . 0.0 108.957 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 38' ' ' MET . 88.4 mt -68.57 -43.79 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.979 0 CA-C-N 114.6 -1.182 . . . . 0.0 108.768 175.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.72 -37.93 85.67 Favored 'General case' 0 N--CA 1.44 -0.969 0 C-N-CA 124.366 1.067 . . . . 0.0 110.843 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -59.8 -49.58 77.14 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 124.376 1.07 . . . . 0.0 111.683 -175.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -67.97 -31.73 71.67 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 121.477 0.656 . . . . 0.0 110.166 178.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.3 mmt -81.43 -4.98 57.4 Favored 'General case' 0 C--N 1.309 -1.182 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.136 -177.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 53.1 m -73.05 -16.64 61.48 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 120.845 0.355 . . . . 0.0 110.44 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.1 m -75.56 -29.11 59.26 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 176.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.452 ' HB2' HG12 ' A' ' 43' ' ' ILE . 35.4 m-85 -95.25 -21.15 18.63 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.688 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 66.48 68.57 0.43 Allowed 'General case' 0 N--CA 1.445 -0.701 0 O-C-N 124.543 1.152 . . . . 0.0 108.986 -175.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.452 HG12 ' HB2' ' A' ' 41' ' ' PHE . 33.3 mm -95.48 119.94 44.22 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.161 0 CA-C-N 114.648 -1.16 . . . . 0.0 108.933 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -65.13 149.75 49.35 Favored 'General case' 0 C--N 1.277 -2.549 0 CA-C-N 114.067 -1.424 . . . . 0.0 110.561 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.412 ' HA ' ' HB2' ' A' ' 48' ' ' MET . 38.4 m -55.16 -31.1 61.08 Favored 'General case' 0 C--N 1.315 -0.905 0 C-N-CA 124.013 0.925 . . . . 0.0 110.295 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -56.31 -48.04 77.49 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.771 1.228 . . . . 0.0 109.729 176.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.45 HE21 HG23 ' A' ' 43' ' ' ILE . 11.2 mt-30 -81.47 -27.16 34.73 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.679 -178.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.7 OUTLIER -60.34 -40.49 90.88 Favored 'General case' 0 C--O 1.216 -0.697 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.413 176.32 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.53 -42.3 78.23 Favored 'General case' 0 N--CA 1.493 1.682 0 C-N-CA 123.185 0.594 . . . . 0.0 109.93 178.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -58.93 -43.24 91.14 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 114.499 -1.228 . . . . 0.0 109.422 179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -70.33 -35.89 73.91 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.153 178.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -61.0 -44.32 97.6 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 121.0 0.428 . . . . 0.0 111.11 -177.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -66.89 -36.2 81.73 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.173 178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -59.17 -49.52 77.54 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 98.4 mt -58.52 -36.59 74.06 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.492 -0.777 . . . . 0.0 111.395 177.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -63.3 -40.29 98.82 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 114.998 -1.001 . . . . 0.0 112.016 177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -64.65 -33.57 76.24 Favored 'General case' 0 N--CA 1.433 -1.297 0 CA-C-O 120.948 0.404 . . . . 0.0 111.56 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -77.47 -38.77 48.5 Favored 'General case' 0 C--O 1.218 -0.585 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 123.63 51.98 0.2 Allowed Glycine 0 C--N 1.304 -1.241 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.314 174.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.45 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.1 t -132.7 124.97 51.99 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.01 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 42.7 mt-10 -89.86 139.53 30.5 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 174.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -101.06 117.58 35.31 Favored 'General case' 0 C--N 1.292 -1.897 0 C-N-CA 120.15 -0.62 . . . . 0.0 110.674 -178.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.591 HG13 HG22 ' A' ' 30' ' ' THR . 16.4 pt -95.99 165.18 2.04 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.317 0 CA-C-O 122.313 1.054 . . . . 0.0 113.579 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 10.2 m -82.78 5.26 22.11 Favored 'General case' 0 C--N 1.273 -2.722 0 N-CA-C 117.62 2.452 . . . . 0.0 117.62 -172.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HA ' HG21 ' A' ' 30' ' ' THR . 12.6 tm-20 73.91 -38.9 0.41 Allowed 'General case' 0 N--CA 1.52 3.048 0 CA-C-N 119.012 0.824 . . . . 0.0 112.937 174.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -71.27 -10.65 60.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.115 0.96 . . . . 0.0 108.937 173.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -123.23 151.0 42.72 Favored 'General case' 0 N--CA 1.406 -2.665 0 N-CA-C 105.453 -2.055 . . . . 0.0 105.453 175.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' HG3' ' H ' ' A' ' 71' ' ' ASP . 8.7 tp10 -152.76 149.81 28.73 Favored 'General case' 0 C--N 1.271 -2.816 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -177.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 25.6 p -108.47 -16.68 14.16 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 119.587 -0.845 . . . . 0.0 113.024 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -87.86 -20.92 25.36 Favored 'General case' 0 C--N 1.274 -2.714 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 174.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' H ' ' HG3' ' A' ' 68' ' ' GLU . 27.9 t70 -100.41 72.39 1.6 Allowed 'General case' 0 C--N 1.308 -1.236 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 -178.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.7 mt -136.61 18.5 3.09 Favored 'General case' 0 C--N 1.296 -1.744 0 CA-C-N 113.61 -1.632 . . . . 0.0 108.152 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -87.73 141.97 28.19 Favored 'General case' 0 N--CA 1.435 -1.214 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.164 -176.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -90.13 96.92 10.9 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 -178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -84.99 -59.8 2.23 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 28.1 p80 . . . . . 0 C--N 1.305 -1.368 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 -179.9 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.501 -0.921 0 N-CA-C 108.342 -0.985 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.505 ' O ' ' HG2' ' A' ' 3' ' ' LYS . 24.4 t70 64.89 -88.37 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.623 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.712 -174.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.604 ' HE2' ' HA ' ' A' ' 3' ' ' LYS . 5.3 mmpt? -175.93 154.84 1.54 Allowed 'General case' 0 CA--C 1.503 -0.832 0 C-N-CA 126.782 2.033 . . . . 0.0 105.99 174.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 10' ' ' LEU . 6.4 tp-100 -81.26 148.12 29.61 Favored 'General case' 0 C--N 1.304 -1.378 0 N-CA-C 105.214 -2.143 . . . . 0.0 105.214 169.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.23 -46.82 6.29 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.709 1.204 . . . . 0.0 113.742 -170.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -155.41 -72.36 0.11 Allowed 'General case' 0 C--N 1.31 -1.145 0 N-CA-C 107.51 -1.292 . . . . 0.0 107.51 174.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -162.26 97.66 1.01 Allowed 'General case' 0 N--CA 1.437 -1.109 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.6 m -143.4 175.87 9.59 Favored 'General case' 0 C--N 1.284 -2.262 0 N-CA-C 103.628 -2.731 . . . . 0.0 103.628 -175.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -61.03 139.68 58.01 Favored 'General case' 0 C--O 1.243 0.752 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 172.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.55 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -119.64 178.11 4.69 Favored 'General case' 0 C--N 1.287 -2.125 0 C-N-CA 119.627 -0.829 . . . . 0.0 110.282 -168.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.542 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 47.0 p -97.95 177.51 5.41 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 -179.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -62.07 -39.85 93.8 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-O 122.635 1.207 . . . . 0.0 110.551 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.49 -40.32 95.45 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 112.702 -2.044 . . . . 0.0 110.591 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.55 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 9.8 mm-40 -74.73 -36.87 62.65 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.265 -175.427 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.527 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.7 t -69.8 -38.29 75.57 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.511 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -177.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -56.36 -41.46 76.2 Favored 'General case' 0 N--CA 1.411 -2.39 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.461 174.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -64.65 -33.44 75.93 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.6 pt20 -70.46 -46.96 62.79 Favored 'General case' 0 CA--C 1.492 -1.259 0 CA-C-O 122.114 0.959 . . . . 0.0 108.883 -174.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' HD11 ' A' ' 29' ' ' LEU . 42.8 mt -66.38 -38.39 87.43 Favored 'General case' 0 N--CA 1.408 -2.531 0 CA-C-N 113.431 -1.713 . . . . 0.0 111.115 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.511 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 15.7 m -59.09 -52.36 66.06 Favored 'General case' 0 C--O 1.207 -1.183 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.587 176.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -60.81 -45.39 94.62 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.933 0.873 . . . . 0.0 110.086 -174.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.1 m -64.56 -46.25 83.59 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-N 114.117 -1.401 . . . . 0.0 110.408 -178.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.76 -36.77 93.51 Favored Glycine 0 C--O 1.205 -1.716 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.758 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.3 mmmt -63.7 -36.24 83.19 Favored 'General case' 0 C--N 1.316 -0.862 0 C-N-CA 122.955 0.502 . . . . 0.0 111.756 178.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -73.09 -40.43 65.01 Favored 'General case' 0 CA--C 1.501 -0.921 0 CA-C-O 121.265 0.555 . . . . 0.0 110.298 -179.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 84.4 mtt180 -81.59 -51.85 7.8 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 121.956 0.884 . . . . 0.0 112.051 -175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.57 -4.16 27.84 Favored Glycine 0 N--CA 1.425 -2.065 0 CA-C-N 113.412 -1.722 . . . . 0.0 109.098 -173.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -155.38 153.38 7.84 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.963 0 CA-C-O 121.19 0.519 . . . . 0.0 111.336 -172.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.418 HD11 ' O ' ' A' ' 19' ' ' LEU . 73.8 mt -141.38 144.73 34.67 Favored 'General case' 0 C--N 1.302 -1.493 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.168 174.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.574 HG22 HG13 ' A' ' 63' ' ' ILE . 41.5 p -84.03 150.44 25.6 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 172.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -63.15 -35.04 78.95 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 122.292 -0.255 . . . . 0.0 111.547 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -72.97 -29.67 63.25 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 119.835 -0.746 . . . . 0.0 112.594 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.8 pt-20 -75.61 -30.32 59.52 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.441 -0.903 . . . . 0.0 108.714 -179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.429 ' O ' ' HG2' ' A' ' 38' ' ' MET . 84.8 mt -69.74 -40.73 79.51 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.508 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.078 176.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.63 -36.37 80.67 Favored 'General case' 0 N--CA 1.439 -1.013 0 C-N-CA 124.065 0.946 . . . . 0.0 110.13 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -58.02 -52.08 67.0 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-N 114.224 -1.353 . . . . 0.0 111.179 -175.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -70.95 -29.33 65.31 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.171 -177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.429 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 23.3 mmt -83.58 -0.22 49.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.595 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.2 t -74.2 -17.23 60.93 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.338 178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.5 p -73.06 -27.66 61.87 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 108.96 -0.755 . . . . 0.0 108.96 174.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -103.99 -172.03 2.04 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 114.897 -1.047 . . . . 0.0 108.42 178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -125.04 93.27 3.84 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 107.58 -1.267 . . . . 0.0 107.58 172.033 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 39.8 mm -109.82 122.29 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.994 0 CA-C-N 115.206 -0.906 . . . . 0.0 108.855 -178.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.0 mm-40 -76.79 164.4 25.87 Favored 'General case' 0 C--N 1.282 -2.359 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.562 -177.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.2 t -62.81 -29.46 70.74 Favored 'General case' 0 C--N 1.309 -1.195 0 C-N-CA 123.324 0.65 . . . . 0.0 110.041 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -60.57 -54.19 48.4 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 122.143 0.973 . . . . 0.0 108.689 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -64.76 -38.78 92.14 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 113.862 -1.517 . . . . 0.0 110.618 -177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.6 OUTLIER -58.17 -46.41 85.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.697 -0.683 . . . . 0.0 112.275 179.067 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.38 -40.53 94.69 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.108 0.48 . . . . 0.0 110.513 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -60.33 -41.33 93.3 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.419 178.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -68.82 -38.86 80.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -61.9 -41.54 98.02 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.317 0.58 . . . . 0.0 110.415 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -63.18 -44.24 95.97 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.036 -0.984 . . . . 0.0 109.102 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 45.0 t80 -56.48 -52.24 65.44 Favored 'General case' 0 C--O 1.24 0.565 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.444 176.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.48 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 89.1 mt -57.24 -43.88 83.32 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.771 179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.36 -40.57 94.32 Favored Glycine 0 N--CA 1.453 -0.218 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.68 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.17 -33.1 74.99 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 178.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 67.0 mm-40 -79.09 -43.54 23.92 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -178.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.53 49.33 0.06 OUTLIER Glycine 0 CA--C 1.484 -1.897 0 C-N-CA 120.501 -0.857 . . . . 0.0 111.883 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.7 t -133.29 122.26 44.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 -178.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -88.7 136.74 32.84 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 176.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -100.44 106.68 18.27 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.855 -0.738 . . . . 0.0 111.453 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.574 HG13 HG22 ' A' ' 30' ' ' THR . 32.1 pt -93.3 175.29 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.971 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.646 177.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.473 ' O ' ' HB ' ' A' ' 30' ' ' THR . 38.1 t -70.46 -81.97 0.04 OUTLIER 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 121.464 0.649 . . . . 0.0 112.076 -178.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 156.78 -22.05 0.0 OUTLIER 'General case' 0 C--N 1.306 -1.302 0 C-N-CA 129.329 3.052 . . . . 0.0 103.737 179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -59.83 -20.24 55.77 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 113.165 -1.834 . . . . 0.0 109.043 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -128.51 156.88 42.58 Favored 'General case' 0 C--N 1.293 -1.888 0 N-CA-C 106.172 -1.788 . . . . 0.0 106.172 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -168.95 158.5 8.74 Favored 'General case' 0 C--N 1.289 -2.061 0 N-CA-C 104.189 -2.523 . . . . 0.0 104.189 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.4 t -149.46 19.22 0.94 Allowed 'General case' 0 N--CA 1.428 -1.528 0 N-CA-C 114.945 1.461 . . . . 0.0 114.945 -174.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -120.46 -4.69 9.85 Favored 'General case' 0 C--N 1.297 -1.683 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.18 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -84.52 -18.46 35.67 Favored 'General case' 0 C--N 1.301 -1.531 0 CA-C-O 122.869 1.319 . . . . 0.0 107.912 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.3 mt -86.65 20.14 2.63 Favored 'General case' 0 C--N 1.294 -1.821 0 CA-C-N 113.093 -1.867 . . . . 0.0 111.245 -177.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -70.71 108.52 4.45 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 174.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -80.19 88.57 5.46 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.455 -177.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -125.13 -42.12 2.03 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 42.8 t-80 . . . . . 0 N--CA 1.436 -1.134 0 N-CA-C 103.875 -2.639 . . . . 0.0 103.875 174.367 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.993 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -168.66 -39.15 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.414 -177.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 66.48 18.86 10.89 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.751 1.22 . . . . 0.0 110.927 178.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.706 ' HG2' ' O ' ' A' ' 9' ' ' GLU . 12.2 tp60 66.65 82.65 0.18 Allowed 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 126.267 1.827 . . . . 0.0 110.906 179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.2 p -78.73 -32.53 46.84 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.21 178.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 42.1 m80 -115.39 140.43 49.14 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 176.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 80.72 126.61 0.04 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.507 1.523 . . . . 0.0 110.396 -173.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 25.9 m -92.56 66.33 4.52 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-O 122.587 1.184 . . . . 0.0 110.94 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.706 ' O ' ' HG2' ' A' ' 4' ' ' GLN . 10.3 pt-20 -175.02 146.6 0.88 Allowed 'General case' 0 CA--C 1.471 -2.082 0 N-CA-C 103.458 -2.793 . . . . 0.0 103.458 175.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -109.37 168.3 9.49 Favored 'General case' 0 C--N 1.273 -2.725 0 C-N-CA 118.003 -1.479 . . . . 0.0 108.167 -179.592 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 73.2 p -98.57 176.02 5.8 Favored 'General case' 0 C--N 1.279 -2.47 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -61.78 -38.53 88.39 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-O 122.739 1.257 . . . . 0.0 110.171 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -62.1 -42.37 99.15 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 112.679 -2.055 . . . . 0.0 111.127 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.463 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 22.0 mm-40 -72.5 -39.87 67.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.149 -177.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.582 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.6 t -70.6 -39.76 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 -176.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 mtmt -55.06 -45.69 75.34 Favored 'General case' 0 N--CA 1.419 -2.025 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.628 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -64.08 -28.22 69.64 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 176.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.582 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 6.9 pt20 -68.65 -47.78 65.69 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD13 HG23 ' A' ' 34' ' ' ILE . 32.3 mt -67.26 -42.3 84.13 Favored 'General case' 0 N--CA 1.414 -2.258 0 CA-C-N 113.324 -1.762 . . . . 0.0 112.519 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.3 m -58.02 -51.43 69.68 Favored 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.921 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 32.4 tt0 -63.32 -42.34 98.98 Favored 'General case' 0 C--N 1.309 -1.187 0 CA-C-O 121.602 0.715 . . . . 0.0 110.896 -177.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.9 m -66.07 -43.47 87.31 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.819 -176.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.61 -35.37 91.85 Favored Glycine 0 C--O 1.199 -2.04 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 22.7 mmmt -66.13 -33.93 76.9 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 177.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 58.9 mtpt -75.34 -39.8 58.95 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 121.262 0.553 . . . . 0.0 110.199 179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -79.25 -48.8 13.53 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 122.297 1.046 . . . . 0.0 110.913 -177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.32 12.04 37.18 Favored Glycine 0 N--CA 1.428 -1.85 0 N-CA-C 108.549 -1.82 . . . . 0.0 108.549 -173.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.0 p -166.2 152.1 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.424 -1.753 0 CA-C-N 115.342 -0.429 . . . . 0.0 111.266 -173.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.528 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 65.5 mt -148.28 132.3 17.22 Favored 'General case' 0 N--CA 1.429 -1.486 0 C-N-CA 124.799 1.24 . . . . 0.0 107.944 173.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.661 HG22 HG13 ' A' ' 63' ' ' ILE . 42.3 p -75.72 149.78 37.98 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.972 173.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -53.94 -38.02 64.5 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 120.784 0.326 . . . . 0.0 111.31 177.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.42 -33.56 60.94 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -175.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.38 -25.39 60.55 Favored 'General case' 0 CA--C 1.516 -0.353 0 C-N-CA 119.22 -0.992 . . . . 0.0 108.855 -178.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.474 HD11 HD12 ' A' ' 62' ' ' LEU . 95.2 mt -72.37 -43.55 64.17 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.521 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.798 175.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.55 68.02 Favored 'General case' 0 N--CA 1.438 -1.055 0 C-N-CA 123.916 0.886 . . . . 0.0 110.696 -178.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.03 -41.77 97.21 Favored 'General case' 0 N--CA 1.44 -0.973 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.115 -173.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 18.6 mmt180 -75.42 -29.75 59.84 Favored 'General case' 0 C--N 1.309 -1.181 0 CA-C-O 121.366 0.603 . . . . 0.0 109.75 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 20.6 mmt -83.62 -1.4 53.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.668 -0.696 . . . . 0.0 112.03 -175.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.2 p -67.95 -22.0 65.06 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.233 0.54 . . . . 0.0 110.34 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.0 m -68.13 -28.07 67.0 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.526 177.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' HB2' HG12 ' A' ' 43' ' ' ILE . 19.0 m-85 -104.83 -173.92 2.42 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -119.28 81.29 1.69 Allowed 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' A' ' 41' ' ' PHE . 37.1 mm -102.22 122.11 54.09 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 CA-C-N 115.288 -0.869 . . . . 0.0 110.941 -173.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -73.69 162.81 28.78 Favored 'General case' 0 C--N 1.288 -2.099 0 CA-C-N 113.841 -1.527 . . . . 0.0 110.452 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.6 p -67.65 -22.12 65.33 Favored 'General case' 0 C--N 1.295 -1.774 0 CA-C-N 115.166 -0.925 . . . . 0.0 110.641 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -71.28 -48.65 49.53 Favored 'General case' 0 CA--C 1.502 -0.892 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 177.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -62.4 -41.49 98.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.009 178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.509 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.4 mmt -61.39 -43.69 98.44 Favored 'General case' 0 C--O 1.214 -0.781 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.81 178.041 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.5 -36.93 85.31 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-O 121.046 0.45 . . . . 0.0 110.256 -178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -59.86 -43.97 94.4 Favored 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.139 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -68.77 -35.98 77.75 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.573 177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -61.05 -42.49 98.58 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-N 118.069 0.395 . . . . 0.0 111.754 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 42.0 tt0 -63.76 -43.23 97.05 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 176.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 57.6 t80 -55.42 -51.66 66.14 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.925 0.766 . . . . 0.0 110.293 178.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 92.0 mt -57.76 -43.42 85.44 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.469 179.029 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.54 -41.4 98.72 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.619 179.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 38.7 mm-40 -64.19 -34.26 77.67 Favored 'General case' 0 N--CA 1.44 -0.974 0 C-N-CA 122.936 0.495 . . . . 0.0 111.633 178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 84.2 mm-40 -77.23 -38.38 51.34 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.23 49.06 0.12 Allowed Glycine 0 C--N 1.302 -1.34 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.561 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 22.8 t -130.46 132.48 64.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 N-CA-C 108.971 -0.752 . . . . 0.0 108.971 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -92.28 131.18 37.7 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 108.72 -0.844 . . . . 0.0 108.72 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.528 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.0 OUTLIER -95.39 97.9 10.16 Favored 'General case' 0 C--N 1.292 -1.914 0 C-N-CA 120.122 -0.631 . . . . 0.0 109.65 177.531 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.661 HG13 HG22 ' A' ' 30' ' ' THR . 34.8 pt -86.83 168.19 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-O 121.588 0.709 . . . . 0.0 111.649 -178.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -96.09 15.39 20.9 Favored 'General case' 0 N--CA 1.424 -1.759 0 CA-C-N 115.363 -0.835 . . . . 0.0 112.834 -173.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 75.78 -39.8 0.39 Allowed 'General case' 0 N--CA 1.51 2.535 0 C-N-CA 124.355 1.062 . . . . 0.0 110.647 178.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -74.49 4.52 5.89 Favored 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 124.864 1.266 . . . . 0.0 110.759 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 11.8 pt-20 -140.55 152.85 45.86 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.502 ' OE2' ' HG2' ' A' ' 70' ' ' GLU . 0.8 OUTLIER 156.82 177.54 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 127.576 2.35 . . . . 0.0 106.627 173.661 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 32.8 p -123.91 -13.53 7.35 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-O 121.217 0.532 . . . . 0.0 111.944 175.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.502 ' HG2' ' OE2' ' A' ' 68' ' ' GLU . 9.0 pt-20 -72.55 -14.92 61.75 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 178.306 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -85.34 -8.47 58.45 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 122.753 1.263 . . . . 0.0 108.913 176.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.8 mt -94.62 -29.07 15.04 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-N 114.205 -1.361 . . . . 0.0 108.548 175.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -64.7 -64.27 0.91 Allowed 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -164.06 133.06 3.77 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 106.138 -1.801 . . . . 0.0 106.138 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -93.99 -179.65 5.04 Favored 'General case' 0 C--N 1.31 -1.13 0 C-N-CA 120.002 -0.679 . . . . 0.0 112.077 -174.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 20.3 p80 . . . . . 0 N--CA 1.437 -1.118 0 N-CA-C 107.362 -1.347 . . . . 0.0 107.362 177.539 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.512 -0.501 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -101.87 163.52 12.21 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.027 0.442 . . . . 0.0 110.991 -179.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -83.66 93.11 7.83 Favored 'General case' 0 N--CA 1.426 -1.67 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.163 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.4 ' HB3' ' HG3' ' A' ' 14' ' ' GLN . 18.3 pt20 60.96 172.32 0.1 Allowed 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 127.208 2.203 . . . . 0.0 114.39 176.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.7 p -83.26 145.99 28.81 Favored 'General case' 0 N--CA 1.398 -3.062 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 171.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -78.07 -8.3 58.04 Favored 'General case' 0 C--N 1.306 -1.317 0 CA-C-O 121.332 0.587 . . . . 0.0 111.382 -173.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -71.97 177.79 4.11 Favored 'General case' 0 N--CA 1.436 -1.149 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.383 174.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 14.1 m -85.8 64.21 8.48 Favored 'General case' 0 N--CA 1.431 -1.421 0 CA-C-O 122.313 1.054 . . . . 0.0 110.729 -178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -165.96 158.37 14.69 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 177.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HB2' HG23 ' A' ' 15' ' ' VAL . 0.2 OUTLIER -130.31 -178.02 4.57 Favored 'General case' 0 C--N 1.294 -1.82 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 -179.423 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.575 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 11.1 p -100.53 174.05 6.27 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.66 -38.42 91.05 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 122.78 1.276 . . . . 0.0 110.418 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -64.73 -35.15 80.13 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 112.293 -2.231 . . . . 0.0 111.616 175.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.575 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 15.4 mm100 -76.58 -38.24 55.2 Favored 'General case' 0 C--N 1.312 -1.033 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.502 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.572 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.2 t -71.35 -37.93 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.467 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -177.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -56.96 -44.22 82.36 Favored 'General case' 0 N--CA 1.409 -2.493 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.092 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -62.07 -31.36 71.78 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 113.349 0.87 . . . . 0.0 113.349 176.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.572 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.9 pt20 -70.42 -48.63 55.12 Favored 'General case' 0 CA--C 1.484 -1.571 0 CA-C-O 122.455 1.121 . . . . 0.0 109.037 -175.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.496 ' O ' HD11 ' A' ' 29' ' ' LEU . 54.1 mt -65.89 -40.04 91.21 Favored 'General case' 0 N--CA 1.401 -2.908 0 CA-C-N 113.226 -1.806 . . . . 0.0 111.076 -178.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 17.6 m -59.29 -51.43 70.0 Favored 'General case' 0 N--CA 1.434 -1.233 0 O-C-N 124.094 0.871 . . . . 0.0 110.086 177.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -62.32 -44.34 96.72 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-O 122.183 0.992 . . . . 0.0 110.177 -175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.9 m -66.14 -46.39 77.64 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.249 -178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.69 -32.65 84.88 Favored Glycine 0 C--O 1.212 -1.26 0 N-CA-C 111.945 -0.462 . . . . 0.0 111.945 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.509 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 27.2 mmmt -64.5 -35.56 81.36 Favored 'General case' 0 C--N 1.31 -1.117 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 178.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -77.82 -42.1 34.9 Favored 'General case' 0 CA--C 1.495 -1.156 0 CA-C-O 122.021 0.915 . . . . 0.0 110.757 -178.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HD2' ' O ' ' A' ' 28' ' ' VAL . 94.2 mtt180 -75.83 -48.3 22.12 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.275 -176.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 4.6 47.68 Favored Glycine 0 N--CA 1.428 -1.852 0 CA-C-N 113.286 -1.779 . . . . 0.0 108.927 -173.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.456 ' O ' ' HD2' ' A' ' 26' ' ' ARG . 8.3 p -162.29 156.97 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.671 0 CA-C-N 115.346 -0.427 . . . . 0.0 110.951 -172.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.496 HD11 ' O ' ' A' ' 19' ' ' LEU . 38.0 mt -148.31 139.73 23.5 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 124.15 0.98 . . . . 0.0 109.369 176.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.462 ' HA ' HG13 ' A' ' 63' ' ' ILE . 74.6 p -75.68 140.17 42.37 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 118.093 0.406 . . . . 0.0 111.103 175.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -50.83 -37.87 45.49 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 124.045 0.938 . . . . 0.0 112.789 178.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -86.57 -24.97 25.24 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 119.483 -0.887 . . . . 0.0 113.293 -173.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 12.8 pt-20 -73.75 -31.8 63.51 Favored 'General case' 0 CA--C 1.512 -0.512 0 C-N-CA 118.111 -1.436 . . . . 0.0 107.897 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.453 ' O ' ' HG2' ' A' ' 38' ' ' MET . 84.6 mt -62.78 -44.35 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.233 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.832 175.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.01 -41.05 87.32 Favored 'General case' 0 N--CA 1.436 -1.149 0 C-N-CA 124.11 0.964 . . . . 0.0 110.721 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -59.69 -47.66 84.77 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 115.298 -0.865 . . . . 0.0 112.082 -174.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 33' ' ' GLU . 54.5 mmt-85 -66.17 -32.54 74.05 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.467 ' HG3' ' HE1' ' A' ' 48' ' ' MET . 21.9 mmt -82.27 -5.14 58.34 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.528 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.9 m -78.48 -5.51 52.76 Favored 'General case' 0 N--CA 1.443 -0.777 0 CA-C-O 121.294 0.569 . . . . 0.0 110.002 178.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.5 m -73.31 -30.53 63.43 Favored 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 172.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' HB2' HG12 ' A' ' 43' ' ' ILE . 25.3 m-85 -103.66 -166.48 1.26 Allowed 'General case' 0 N--CA 1.44 -0.965 0 CA-C-N 114.02 -1.445 . . . . 0.0 107.641 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -117.62 64.66 0.74 Allowed 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 -179.272 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.43 HG12 ' HB2' ' A' ' 41' ' ' PHE . 30.7 mm -100.96 115.0 41.8 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 CA-C-O 121.55 0.691 . . . . 0.0 110.404 -175.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -77.16 168.46 20.02 Favored 'General case' 0 C--N 1.284 -2.246 0 CA-C-N 114.376 -1.284 . . . . 0.0 110.604 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.7 t -61.94 -30.95 71.26 Favored 'General case' 0 C--N 1.315 -0.897 0 C-N-CA 123.494 0.718 . . . . 0.0 109.407 177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -58.9 -47.36 85.26 Favored 'General case' 0 CA--C 1.514 -0.428 0 C-N-CA 125.059 1.343 . . . . 0.0 109.23 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -77.55 -35.92 52.72 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.099 -1.41 . . . . 0.0 109.932 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.523 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -59.98 -38.09 81.54 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.99 176.548 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.12 -42.02 76.2 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.34 0.656 . . . . 0.0 111.443 177.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -65.38 -37.84 88.23 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.669 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.416 ' CE2' HD11 ' A' ' 55' ' ' LEU . 25.8 t80 -71.22 -34.67 71.04 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.637 176.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.76 -39.86 93.11 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 120.901 0.382 . . . . 0.0 110.538 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 8.6 tp10 -63.29 -47.17 83.42 Favored 'General case' 0 N--CA 1.434 -1.27 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.228 176.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 46.8 t80 -55.43 -50.34 70.07 Favored 'General case' 0 N--CA 1.445 -0.717 0 O-C-N 123.935 0.772 . . . . 0.0 110.861 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.468 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 85.6 mt -58.14 -42.86 86.77 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.827 178.194 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -62.26 -38.51 96.33 Favored Glycine 0 C--O 1.237 0.318 0 CA-C-N 114.587 -1.188 . . . . 0.0 111.208 177.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.551 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 48.6 mt-10 -63.82 -32.93 74.61 Favored 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 122.651 0.38 . . . . 0.0 111.405 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 25.2 mm-40 -78.89 -53.22 7.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 146.24 49.43 0.03 OUTLIER Glycine 0 C--N 1.302 -1.351 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.5 t -133.83 131.99 56.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.034 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 45.5 mt-10 -97.87 140.15 32.66 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 107.648 -1.241 . . . . 0.0 107.648 173.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.84 112.49 24.57 Favored 'General case' 0 N--CA 1.408 -2.571 0 C-N-CA 119.928 -0.709 . . . . 0.0 110.035 -179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.462 HG13 ' HA ' ' A' ' 30' ' ' THR . 15.3 pt -93.23 168.61 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.462 -2.406 0 CA-C-O 122.152 0.977 . . . . 0.0 111.522 178.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.47 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 59.1 m -77.36 150.55 35.14 Favored 'General case' 0 N--CA 1.386 -3.658 0 CA-C-N 113.633 -1.621 . . . . 0.0 107.398 173.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -78.82 -13.89 59.56 Favored 'General case' 0 C--N 1.294 -1.823 0 CA-C-O 121.95 0.881 . . . . 0.0 109.697 -178.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -65.15 -20.63 66.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 114.807 -1.088 . . . . 0.0 110.309 173.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 64' ' ' SER . 11.4 pt-20 -122.2 166.66 14.24 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 107.133 -1.432 . . . . 0.0 107.133 179.064 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.69 158.18 1.0 Allowed 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 106.856 -1.535 . . . . 0.0 106.856 178.356 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 14.7 t -115.89 -25.31 7.78 Favored 'General case' 0 N--CA 1.427 -1.608 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -175.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -91.67 -8.55 46.76 Favored 'General case' 0 C--N 1.282 -2.348 0 CA-C-O 121.918 0.866 . . . . 0.0 108.742 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -97.03 3.83 51.72 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 114.654 -1.157 . . . . 0.0 108.677 -178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.9 mt -85.14 -35.9 21.43 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.29 -0.868 . . . . 0.0 108.728 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' OE1' ' HE1' ' A' ' 75' ' ' HIS . 8.1 pt-20 -112.64 95.33 5.37 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.072 176.071 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -72.13 109.47 5.94 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 115.072 -0.967 . . . . 0.0 112.662 -175.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.416 ' HE1' ' OE1' ' A' ' 73' ' ' GLU . 71.5 m80 -104.34 56.18 0.72 Allowed 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 175.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 . . . . . 0 C--N 1.307 -1.256 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 179.634 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.397 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -123.66 -48.8 1.9 Allowed 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 -178.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.1 mttm 71.69 3.03 4.52 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 124.896 1.279 . . . . 0.0 112.607 177.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 70.51 145.87 0.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.068 1.347 . . . . 0.0 112.107 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 p -86.62 88.27 7.62 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 175.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.8 t60 74.85 133.42 0.05 OUTLIER 'General case' 0 C--O 1.239 0.529 0 C-N-CA 125.614 1.565 . . . . 0.0 110.045 -177.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -74.3 87.83 2.0 Favored 'General case' 0 C--N 1.314 -0.958 0 CA-C-O 121.992 0.901 . . . . 0.0 110.724 -175.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 56.1 m -143.29 88.36 2.01 Favored 'General case' 0 N--CA 1.431 -1.396 0 CA-C-N 114.266 -1.334 . . . . 0.0 107.457 175.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 57.12 111.07 0.01 OUTLIER 'General case' 0 C--O 1.236 0.362 0 C-N-CA 125.407 1.483 . . . . 0.0 113.01 -177.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -118.97 -178.79 3.64 Favored 'General case' 0 C--N 1.284 -2.255 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.082 -170.361 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.494 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 55.2 p -99.43 178.56 4.84 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 178.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -64.27 -36.44 84.11 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 122.684 1.231 . . . . 0.0 110.301 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.62 -40.21 95.07 Favored 'General case' 0 CA--C 1.497 -1.085 0 CA-C-N 112.906 -1.952 . . . . 0.0 113.013 174.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.591 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 15.7 mm-40 -75.27 -36.61 61.19 Favored 'General case' 0 C--N 1.308 -1.211 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.496 -176.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.548 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 47.6 t -71.02 -37.98 69.95 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.719 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtmp? -55.14 -47.95 74.37 Favored 'General case' 0 N--CA 1.408 -2.571 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.303 173.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -64.31 -26.24 68.4 Favored 'General case' 0 C--N 1.306 -1.325 0 N-CA-C 114.615 1.339 . . . . 0.0 114.615 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.9 pt20 -71.03 -50.18 36.85 Favored 'General case' 0 C--N 1.361 1.073 0 CA-C-O 122.609 1.195 . . . . 0.0 108.609 -178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD13 HG23 ' A' ' 34' ' ' ILE . 25.6 mt -66.08 -39.53 90.1 Favored 'General case' 0 N--CA 1.414 -2.236 0 CA-C-N 113.248 -1.796 . . . . 0.0 111.791 -178.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 17.0 m -60.03 -50.19 74.7 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.402 178.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -62.92 -40.98 99.24 Favored 'General case' 0 C--N 1.308 -1.205 0 O-C-N 123.853 0.721 . . . . 0.0 109.838 -175.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 m -62.0 -48.21 81.32 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.435 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.01 -35.13 91.61 Favored Glycine 0 C--O 1.207 -1.553 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.814 179.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 20' ' ' THR . 29.8 mmmt -63.28 -35.86 81.75 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 122.895 0.478 . . . . 0.0 112.257 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -75.01 -39.13 61.33 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 121.276 0.56 . . . . 0.0 111.053 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.405 HH12 ' CD ' ' A' ' 33' ' ' GLU . 87.6 mtt180 -84.34 -54.94 4.44 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-O 122.247 1.022 . . . . 0.0 111.72 -176.106 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.91 -5.4 18.38 Favored Glycine 0 N--CA 1.426 -1.995 0 CA-C-N 113.543 -1.662 . . . . 0.0 110.116 -174.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.4 p -156.32 157.26 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.492 0 CA-C-O 120.72 0.295 . . . . 0.0 111.136 -174.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.412 HD11 ' O ' ' A' ' 19' ' ' LEU . 68.6 mt -145.74 141.72 28.27 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 124.627 1.171 . . . . 0.0 108.59 175.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.594 HG22 HG13 ' A' ' 63' ' ' ILE . 44.0 p -79.93 144.11 33.63 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 171.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 35.8 m-85 -57.2 -36.11 70.44 Favored 'General case' 0 CA--C 1.511 -0.543 0 CA-C-O 121.142 0.496 . . . . 0.0 111.047 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -77.55 -23.76 50.0 Favored 'General case' 0 N--CA 1.427 -1.598 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.237 -173.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 30' ' ' THR . 15.4 pt-20 -80.32 -29.13 38.05 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 176.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.447 HG23 HD13 ' A' ' 19' ' ' LEU . 89.5 mt -67.07 -41.68 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.124 0 CA-C-N 114.646 -1.161 . . . . 0.0 108.779 175.339 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.09 -30.72 71.28 Favored 'General case' 0 N--CA 1.432 -1.347 0 C-N-CA 124.081 0.953 . . . . 0.0 110.857 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -59.86 -51.82 68.09 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.886 -175.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -69.18 -30.49 68.7 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -177.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 21.9 mmt -81.3 -3.36 52.3 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.829 -177.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.9 t -79.98 -4.26 51.76 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 177.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 t -74.08 -28.89 61.6 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 172.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -110.24 -169.57 1.49 Allowed 'General case' 0 N--CA 1.437 -1.091 0 CA-C-N 114.098 -1.41 . . . . 0.0 107.301 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -125.23 89.64 3.09 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.9 mm -107.5 129.81 60.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.627 -175.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.69 167.72 21.35 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.535 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.6 t -66.82 -32.06 73.1 Favored 'General case' 0 C--N 1.309 -1.178 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 176.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -68.58 -43.73 75.9 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -63.59 -36.8 84.99 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 114.445 -1.252 . . . . 0.0 110.987 178.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -64.8 -42.1 95.28 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.848 175.618 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.413 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 19.4 t70 -61.14 -34.93 75.79 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 123.319 0.387 . . . . 0.0 110.661 -179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -57.64 -47.56 81.89 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.648 0.737 . . . . 0.0 109.522 176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -68.57 -34.43 75.8 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.0 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 22.9 m-85 -61.89 -42.15 98.74 Favored 'General case' 0 C--N 1.322 -0.594 0 O-C-N 122.291 -0.256 . . . . 0.0 111.35 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -62.25 -43.45 98.8 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.355 176.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 51.4 t80 -57.64 -50.39 73.31 Favored 'General case' 0 N--CA 1.439 -1.009 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.353 178.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 83.0 mt -57.34 -42.49 82.08 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.565 178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.05 -40.53 98.63 Favored Glycine 0 N--CA 1.442 -0.951 0 CA-C-N 114.44 -1.255 . . . . 0.0 111.802 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -61.25 -38.81 88.05 Favored 'General case' 0 N--CA 1.44 -0.968 0 C-N-CA 122.989 0.515 . . . . 0.0 111.072 176.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.484 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 24.7 mm-40 -76.15 -50.16 15.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 -176.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.3 56.65 0.04 OUTLIER Glycine 0 C--N 1.304 -1.199 0 C-N-CA 120.514 -0.851 . . . . 0.0 112.075 176.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.422 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 38.5 t -139.2 128.75 30.35 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 -179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 40.3 mt-10 -90.68 136.49 33.03 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.221 -1.029 . . . . 0.0 108.221 174.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.91 112.39 25.34 Favored 'General case' 0 C--N 1.293 -1.879 0 C-N-CA 119.72 -0.792 . . . . 0.0 111.353 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.594 HG13 HG22 ' A' ' 30' ' ' THR . 25.7 pt -94.99 173.85 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 175.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.553 ' O ' ' HB ' ' A' ' 30' ' ' THR . 41.2 t -72.31 -91.36 0.02 OUTLIER 'General case' 0 C--N 1.305 -1.364 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.409 ' HB2' ' O ' ' A' ' 64' ' ' SER . 20.7 tt0 161.91 -12.17 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.885 0 C-N-CA 127.831 2.452 . . . . 0.0 106.507 175.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.46 -2.05 30.21 Favored 'General case' 0 N--CA 1.483 1.178 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 168.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -139.55 155.61 47.39 Favored 'General case' 0 N--CA 1.41 -2.438 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 178.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.49 120.37 5.68 Favored 'General case' 0 C--N 1.273 -2.744 0 N-CA-C 105.143 -2.169 . . . . 0.0 105.143 177.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.7 p -131.04 20.02 4.94 Favored 'General case' 0 C--N 1.271 -2.828 0 CA-C-N 114.775 -1.102 . . . . 0.0 112.476 -172.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -95.91 -16.56 21.68 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -131.86 86.76 2.37 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.367 175.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 96.4 mt -118.44 8.1 12.04 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-O 121.607 0.717 . . . . 0.0 109.716 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -95.03 124.44 39.08 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.044 -0.98 . . . . 0.0 110.204 -176.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.8 m-70 -92.9 106.08 18.1 Favored 'General case' 0 C--N 1.311 -1.079 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.4 p80 -134.38 145.02 48.56 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.159 -175.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 . . . . . 0 C--N 1.307 -1.251 0 CA-C-O 118.971 -0.538 . . . . 0.0 111.272 -178.911 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 121.014 0.435 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -83.44 119.46 24.69 Favored 'General case' 0 CA--C 1.491 -1.317 0 CA-C-O 121.591 0.71 . . . . 0.0 112.738 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.02 21.77 4.52 Favored 'General case' 0 C--N 1.282 -2.329 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.172 174.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 16.6 pt20 -71.11 165.3 23.84 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-N 114.435 -1.257 . . . . 0.0 108.94 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -76.69 155.87 32.98 Favored 'General case' 0 N--CA 1.417 -2.096 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -78.75 92.81 4.85 Favored 'General case' 0 C--O 1.25 1.102 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.981 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.478 ' HG3' ' H ' ' A' ' 9' ' ' GLU . 10.4 pt-20 -176.3 -177.39 0.86 Allowed 'General case' 0 N--CA 1.437 -1.083 0 C-N-CA 126.63 1.972 . . . . 0.0 106.749 179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 4.3 m -88.12 2.8 51.21 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 122.544 1.164 . . . . 0.0 110.725 -178.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.478 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 12.5 mm-40 -98.49 142.72 29.75 Favored 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 114.36 -1.291 . . . . 0.0 109.475 -178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -130.22 179.05 6.12 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.536 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 23.8 p -101.76 171.53 7.48 Favored 'General case' 0 C--N 1.301 -1.534 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.214 -179.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -60.73 -37.09 80.58 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 122.558 1.171 . . . . 0.0 110.716 179.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.477 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 20.6 m-20 -64.62 -38.08 89.78 Favored 'General case' 0 CA--C 1.5 -0.942 0 CA-C-N 112.897 -1.956 . . . . 0.0 111.974 175.169 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.536 ' HB2' ' H ' ' A' ' 11' ' ' THR . 8.7 mm100 -73.64 -38.41 65.01 Favored 'General case' 0 C--N 1.307 -1.268 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.449 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 76.5 t -72.71 -38.48 58.28 Favored 'Isoleucine or valine' 0 N--CA 1.412 -2.358 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.185 -177.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.477 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.2 mtmt -57.4 -49.96 74.51 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 172.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -62.16 -26.18 68.19 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 177.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.7 pt20 -71.3 -51.28 25.3 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-O 122.201 1.0 . . . . 0.0 108.901 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.519 HD13 HG23 ' A' ' 34' ' ' ILE . 56.7 mt -66.67 -35.87 81.18 Favored 'General case' 0 N--CA 1.413 -2.279 0 CA-C-N 113.134 -1.848 . . . . 0.0 112.068 -177.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.437 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 18.0 m -57.5 -51.01 71.19 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.917 176.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 25.2 tt0 -62.77 -42.11 99.54 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-O 121.685 0.755 . . . . 0.0 110.463 -174.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.411 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 25.1 m -64.78 -45.78 84.89 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-N 114.546 -1.206 . . . . 0.0 110.698 -176.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.86 -34.78 89.62 Favored Glycine 0 C--O 1.209 -1.444 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.475 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 27.2 mmmt -64.31 -34.76 78.89 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 114.951 -0.625 . . . . 0.0 112.393 178.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.406 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 60.2 mtpt -76.89 -37.73 54.9 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.204 0.526 . . . . 0.0 111.295 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 22' ' ' SER . 87.5 mtt180 -85.13 -46.64 10.93 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-O 122.189 0.995 . . . . 0.0 111.819 -175.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.67 5.77 44.61 Favored Glycine 0 N--CA 1.43 -1.701 0 N-CA-C 109.207 -1.557 . . . . 0.0 109.207 -174.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.498 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 8.3 p -162.5 156.39 2.42 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.923 0 CA-C-N 115.313 -0.444 . . . . 0.0 110.169 -174.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.486 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 67.3 mt -150.55 142.2 23.62 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 174.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.56 HG22 HG13 ' A' ' 63' ' ' ILE . 39.4 p -74.1 139.67 44.76 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.281 170.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' O ' ' HB ' ' A' ' 34' ' ' ILE . 70.7 m-85 -51.31 -40.65 59.47 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.646 0.736 . . . . 0.0 110.394 178.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -82.11 -25.34 34.55 Favored 'General case' 0 N--CA 1.425 -1.707 0 N-CA-C 114.519 1.303 . . . . 0.0 114.519 -172.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.7 -25.71 62.2 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 118.576 -1.249 . . . . 0.0 107.799 177.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.519 HG23 HD13 ' A' ' 19' ' ' LEU . 84.5 mt -67.49 -42.91 87.56 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.931 0 CA-C-N 113.954 -1.476 . . . . 0.0 109.211 175.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.29 -28.81 67.51 Favored 'General case' 0 N--CA 1.438 -1.059 0 C-N-CA 124.266 1.027 . . . . 0.0 111.334 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.23 -51.6 68.89 Favored 'General case' 0 CA--C 1.505 -0.763 0 C-N-CA 123.707 0.803 . . . . 0.0 110.411 -175.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 23.2 mmt85 -69.95 -24.5 63.36 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.965 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.459 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.3 mmt -84.38 -6.64 59.41 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -177.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.7 m -61.34 -27.46 68.52 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-O 121.386 0.613 . . . . 0.0 109.934 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 m -60.86 -29.89 69.8 Favored 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 114.674 -1.148 . . . . 0.0 110.859 177.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.559 ' HB2' HG12 ' A' ' 43' ' ' ILE . 28.5 m-85 -110.36 -5.43 15.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.289 -177.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 60.26 39.03 19.54 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.083 0.953 . . . . 0.0 111.253 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.559 HG12 ' HB2' ' A' ' 41' ' ' PHE . 45.1 mm -63.68 126.91 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.741 -178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -75.89 159.85 30.52 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.649 -1.159 . . . . 0.0 110.504 -176.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.5 m -57.43 -34.49 69.01 Favored 'General case' 0 C--N 1.307 -1.24 0 C-N-CA 123.859 0.864 . . . . 0.0 111.297 178.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.83 -49.36 73.15 Favored 'General case' 0 CA--C 1.507 -0.676 0 CA-C-O 121.427 0.632 . . . . 0.0 109.607 178.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -65.02 -37.12 86.57 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.516 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.517 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -59.35 -42.0 90.52 Favored 'General case' 0 N--CA 1.442 -0.875 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.694 176.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.428 ' HA ' ' CD1' ' A' ' 52' ' ' TYR . 23.5 t70 -61.78 -38.56 88.52 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 120.786 0.327 . . . . 0.0 110.666 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -60.4 -40.02 89.44 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.604 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' CE2' HD11 ' A' ' 55' ' ' LEU . 23.1 t80 -71.09 -36.68 72.31 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.334 176.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.428 ' CD1' ' HA ' ' A' ' 49' ' ' ASP . 23.0 m-85 -62.54 -42.6 99.63 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.578 0.704 . . . . 0.0 110.699 -179.088 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -63.22 -38.87 92.85 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.507 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.416 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 37.4 t80 -60.96 -51.6 68.59 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.941 175.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.452 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 96.9 mt -57.75 -39.86 78.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.155 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.37 -41.63 98.56 Favored Glycine 0 CA--C 1.511 -0.218 0 CA-C-N 115.078 -0.965 . . . . 0.0 111.516 176.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -65.17 -31.19 72.25 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.475 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 79.8 mm-40 -78.35 -47.9 16.71 Favored 'General case' 0 C--O 1.227 -0.131 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.83 51.64 0.06 OUTLIER Glycine 0 C--N 1.308 -1.02 0 C-N-CA 120.98 -0.629 . . . . 0.0 112.44 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.452 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 30.4 t -133.31 128.01 54.86 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.923 0 N-CA-C 108.944 -0.762 . . . . 0.0 108.944 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.498 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 46.8 mt-10 -89.97 140.06 29.99 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 172.461 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.486 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 1.6 mm? -102.8 116.75 33.17 Favored 'General case' 0 N--CA 1.41 -2.462 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.758 179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.56 HG13 HG22 ' A' ' 30' ' ' THR . 4.6 pt -88.13 165.5 2.07 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.623 0 CA-C-O 122.145 0.974 . . . . 0.0 111.739 175.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.4 ' HB2' ' HG2' ' A' ' 67' ' ' GLU . 3.2 m -86.5 0.83 53.44 Favored 'General case' 0 C--N 1.256 -3.475 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -173.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -44.95 0.55 Allowed 'General case' 0 N--CA 1.508 2.433 0 C-N-CA 123.884 0.874 . . . . 0.0 110.167 177.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -56.0 -38.82 70.98 Favored 'General case' 0 CA--C 1.497 -1.071 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 172.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' HG2' ' HB2' ' A' ' 64' ' ' SER . 12.8 pt-20 -107.33 143.28 35.84 Favored 'General case' 0 N--CA 1.407 -2.595 0 CA-C-N 113.078 -1.874 . . . . 0.0 107.355 172.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -168.0 121.85 0.93 Allowed 'General case' 0 C--N 1.269 -2.92 0 N-CA-C 106.662 -1.607 . . . . 0.0 106.662 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 5.3 p -143.41 31.64 1.34 Allowed 'General case' 0 C--N 1.274 -2.683 0 CA-C-N 114.569 -1.196 . . . . 0.0 110.288 -177.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -83.3 -21.83 33.14 Favored 'General case' 0 C--O 1.248 1.008 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 178.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -142.34 122.56 13.84 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 114.041 -1.436 . . . . 0.0 110.119 176.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.3 mt -123.77 9.81 8.91 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 173.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -102.76 -12.34 17.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.648 -175.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 69.46 66.79 0.26 Allowed 'General case' 0 CA--C 1.506 -0.722 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 -170.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -76.33 134.6 39.67 Favored 'General case' 0 C--N 1.299 -1.599 0 CA-C-N 113.508 -1.678 . . . . 0.0 112.272 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 . . . . . 0 C--N 1.302 -1.496 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 175.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.785 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -158.97 -16.82 0.07 Allowed 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -133.15 -174.47 3.5 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 176.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.559 ' OE1' ' HG ' ' A' ' 10' ' ' LEU . 26.9 tp60 65.95 81.08 0.21 Allowed 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.36 1.076 . . . . 0.0 111.701 -179.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.9 p -124.94 63.96 1.13 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 114.411 -1.268 . . . . 0.0 108.778 177.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 79.4 10.58 1.46 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.525 1.53 . . . . 0.0 114.412 -177.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -72.4 165.38 24.66 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 12.6 m -90.42 122.82 33.62 Favored 'General case' 0 N--CA 1.411 -2.381 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 176.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . 0.272 50.6 mt-10 76.23 140.6 0.07 Allowed 'General case' 0 C--N 1.297 -1.693 0 C-N-CA 126.043 1.737 . . . . 0.0 113.046 -176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.559 ' HG ' ' OE1' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -110.89 -172.88 2.12 Favored 'General case' 0 N--CA 1.416 -2.163 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.77 -170.261 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.519 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 14.7 p -98.77 173.56 6.82 Favored 'General case' 0 N--CA 1.425 -1.721 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 178.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.6 t80 -64.02 -39.54 94.33 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-O 122.742 1.258 . . . . 0.0 110.043 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' HA ' ' HE3' ' A' ' 16' ' ' LYS . 28.4 m-20 -67.45 -34.58 77.49 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 112.586 -2.097 . . . . 0.0 112.571 175.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.519 ' HB2' ' H ' ' A' ' 11' ' ' THR . 14.8 mm100 -73.58 -37.75 65.39 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.469 HG23 ' HB2' ' A' ' 10' ' ' LEU . 54.6 t -71.99 -39.93 67.12 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.454 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 -177.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.8 mtmt -55.62 -49.21 73.44 Favored 'General case' 0 N--CA 1.415 -2.224 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.884 171.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -62.79 -27.6 69.41 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 176.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 19.9 tt0 -68.24 -58.05 5.03 Favored 'General case' 0 N--CA 1.425 -1.714 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 -179.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.458 ' O ' HD11 ' A' ' 29' ' ' LEU . 34.8 mt -64.27 -41.9 96.71 Favored 'General case' 0 N--CA 1.407 -2.586 0 CA-C-N 113.568 -1.651 . . . . 0.0 111.875 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.427 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 20.5 m -59.92 -52.82 63.8 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.901 178.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.5 tt0 -64.33 -38.79 92.3 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.927 0.87 . . . . 0.0 110.232 -174.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.9 m -64.92 -47.08 79.01 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.542 178.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.52 -33.1 85.44 Favored Glycine 0 C--O 1.2 -1.994 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 178.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.451 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 28.8 mmmt -66.93 -29.97 69.99 Favored 'General case' 0 C--N 1.31 -1.111 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 177.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 94.8 mttt -76.6 -46.17 27.18 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 122.021 0.915 . . . . 0.0 109.637 177.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.0 mtp180 -77.06 -48.01 19.02 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-N 113.928 -1.487 . . . . 0.0 111.304 -173.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.45 6.74 50.15 Favored Glycine 0 N--CA 1.427 -1.94 0 CA-C-N 113.615 -1.63 . . . . 0.0 109.121 -174.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -160.26 156.83 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.987 0 CA-C-N 115.162 -0.519 . . . . 0.0 111.269 -171.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.527 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 58.9 mt -151.59 136.37 17.17 Favored 'General case' 0 C--N 1.312 -1.056 0 C-N-CA 125.104 1.362 . . . . 0.0 108.254 174.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.736 HG22 HG13 ' A' ' 63' ' ' ILE . 38.8 p -80.99 144.65 31.66 Favored 'General case' 0 C--N 1.295 -1.778 0 CA-C-N 117.927 0.33 . . . . 0.0 110.275 173.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.401 ' HD1' ' CZ ' ' A' ' 52' ' ' TYR . 98.4 m-85 -56.34 -37.94 70.67 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.034 0.445 . . . . 0.0 110.828 178.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.58 -39.93 95.27 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.354 -177.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.4 pt-20 -77.47 -28.05 52.17 Favored 'General case' 0 C--O 1.238 0.453 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -176.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.407 HG23 HD13 ' A' ' 19' ' ' LEU . 85.3 mt -67.35 -47.68 80.28 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.448 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.003 177.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.4 -28.5 67.97 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.749 0.82 . . . . 0.0 110.647 179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -59.89 -55.54 32.87 Favored 'General case' 0 CA--C 1.508 -0.664 0 CA-C-N 114.714 -1.13 . . . . 0.0 110.859 -174.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.3 mmt85 -71.46 -21.86 61.9 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.684 -177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.431 ' HG3' ' HE1' ' A' ' 48' ' ' MET . 25.1 mmt -85.56 -7.48 58.84 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 116.196 -0.456 . . . . 0.0 112.104 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.5 m -64.9 -21.94 66.91 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -176.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -65.59 -37.3 86.24 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 121.42 0.628 . . . . 0.0 109.513 175.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HB2' HG12 ' A' ' 43' ' ' ILE . 34.5 m-85 -90.33 -25.37 20.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.94 -177.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 68.62 62.17 0.35 Allowed 'General case' 0 C--O 1.243 0.752 0 C-N-CA 124.752 1.221 . . . . 0.0 109.365 -178.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 41' ' ' PHE . 38.2 mm -87.03 127.94 40.1 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 113.917 -1.492 . . . . 0.0 108.918 -178.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -79.88 168.05 19.76 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 123.736 0.814 . . . . 0.0 111.75 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -60.18 -35.03 74.44 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.97 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -56.72 -49.06 76.33 Favored 'General case' 0 CA--C 1.513 -0.462 0 CA-C-O 122.131 0.967 . . . . 0.0 110.131 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.446 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 40.6 mt-30 -72.48 -39.94 67.32 Favored 'General case' 0 C--N 1.3 -1.576 0 CA-C-N 114.136 -1.393 . . . . 0.0 109.893 -177.481 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.487 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -62.8 -38.36 90.38 Favored 'General case' 0 C--O 1.213 -0.837 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.26 179.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -51.94 -48.04 64.46 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.417 1.087 . . . . 0.0 111.421 179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -67.14 -33.49 75.56 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.949 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -70.5 -37.14 74.14 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 176.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.401 ' CZ ' ' HD1' ' A' ' 31' ' ' TYR . 22.6 m-85 -61.26 -44.04 97.89 Favored 'General case' 0 CA--C 1.496 -1.113 0 CA-C-O 121.818 0.818 . . . . 0.0 109.635 179.201 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 39.8 tt0 -62.82 -42.71 99.84 Favored 'General case' 0 N--CA 1.432 -1.352 0 CA-C-N 113.822 -1.535 . . . . 0.0 109.603 178.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.493 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 42.3 t80 -59.44 -50.9 72.16 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.447 176.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.448 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 90.8 mt -56.98 -43.44 81.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.509 178.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -59.61 -39.45 95.12 Favored Glycine 0 N--CA 1.453 -0.219 0 CA-C-N 114.333 -1.303 . . . . 0.0 111.626 177.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 20.6 mm-40 -64.44 -34.13 77.48 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-O 120.951 0.405 . . . . 0.0 111.612 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 22.3 mm-40 -77.21 -46.57 22.82 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.553 -0.906 . . . . 0.0 108.553 -178.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 137.83 50.05 0.06 OUTLIER Glycine 0 C--N 1.298 -1.56 0 C-N-CA 120.595 -0.812 . . . . 0.0 111.684 177.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 26.6 t -131.92 127.32 58.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.088 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -92.93 130.21 38.59 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.527 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -92.92 109.24 20.68 Favored 'General case' 0 N--CA 1.427 -1.617 0 C-N-CA 119.683 -0.807 . . . . 0.0 110.275 -179.326 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.736 HG13 HG22 ' A' ' 30' ' ' THR . 33.0 pt -91.82 161.7 2.53 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.21 0 CA-C-O 121.733 0.778 . . . . 0.0 112.621 178.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -78.94 0.61 26.77 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 -170.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.508 ' HA ' HG21 ' A' ' 30' ' ' THR . 2.7 tm-20 79.04 -41.72 0.28 Allowed 'General case' 0 N--CA 1.497 1.877 0 C-N-CA 123.984 0.914 . . . . 0.0 110.304 -178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -65.79 -18.56 65.42 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 122.135 0.969 . . . . 0.0 109.77 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.541 ' HG3' ' HB ' ' A' ' 63' ' ' ILE . 17.1 pt-20 -115.78 150.86 36.24 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 176.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.511 ' HB2' ' HG2' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -157.93 165.37 35.34 Favored 'General case' 0 C--N 1.288 -2.079 0 O-C-N 123.436 0.46 . . . . 0.0 110.511 178.374 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.2 p -135.01 28.41 3.49 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.511 ' HG2' ' HB2' ' A' ' 68' ' ' GLU . 4.0 mm-40 -100.47 -6.7 25.15 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 115.0 -1.0 . . . . 0.0 109.842 -169.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -90.1 -1.28 57.93 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-O 121.964 0.888 . . . . 0.0 109.725 -178.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.0 mt -73.96 -38.34 64.24 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 115.115 -0.948 . . . . 0.0 109.624 -177.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.17 -174.17 2.47 Favored 'General case' 0 C--N 1.303 -1.451 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 174.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -139.12 162.68 34.37 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 106.616 -1.624 . . . . 0.0 106.616 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -63.04 -37.01 85.48 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 118.476 0.58 . . . . 0.0 110.113 177.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 8.0 t60 . . . . . 0 N--CA 1.43 -1.443 0 N-CA-C 105.92 -1.881 . . . . 0.0 105.92 175.438 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.524 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -150.26 -178.88 6.77 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.424 ' NZ ' ' HB2' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -124.53 154.43 40.59 Favored 'General case' 0 N--CA 1.426 -1.657 0 N-CA-C 106.133 -1.803 . . . . 0.0 106.133 178.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -50.02 -72.8 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.021 0 O-C-N 123.849 0.718 . . . . 0.0 111.407 -176.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.5 p -144.25 -63.43 0.37 Allowed 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 106.422 -1.696 . . . . 0.0 106.422 175.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 49.9 m-70 -133.72 -166.97 1.86 Allowed 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 104.559 -2.386 . . . . 0.0 104.559 173.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -81.98 84.32 6.99 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 122.567 1.175 . . . . 0.0 108.823 172.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.557 HG22 ' H ' ' A' ' 9' ' ' GLU . 17.0 m -128.52 -163.85 1.32 Allowed 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 103.878 -2.638 . . . . 0.0 103.878 -176.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.557 ' H ' HG22 ' A' ' 8' ' ' THR . 33.3 mt-10 -65.77 135.48 54.96 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 119.681 1.128 . . . . 0.0 109.325 173.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.07 179.99 5.56 Favored 'General case' 0 N--CA 1.432 -1.347 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.4 p -99.56 175.53 5.8 Favored 'General case' 0 N--CA 1.429 -1.493 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -65.25 -35.42 80.98 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 122.626 1.203 . . . . 0.0 110.505 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -62.9 -40.45 97.6 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 112.639 -2.073 . . . . 0.0 111.495 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.474 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 15.7 mm-40 -75.78 -35.68 60.03 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.532 0.682 . . . . 0.0 110.765 -177.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.602 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 55.4 t -72.51 -39.58 62.18 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.547 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.169 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -56.39 -49.98 72.9 Favored 'General case' 0 N--CA 1.412 -2.34 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 173.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.257 0.4 OUTLIER -63.99 -22.05 66.76 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 115.886 1.81 . . . . 0.0 115.886 176.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.2 pt20 -70.06 -48.89 55.97 Favored 'General case' 0 CA--C 1.496 -1.133 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 177.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.451 HD13 HG23 ' A' ' 34' ' ' ILE . 53.4 mt -68.08 -38.39 82.3 Favored 'General case' 0 N--CA 1.405 -2.681 0 CA-C-N 113.259 -1.791 . . . . 0.0 112.479 -178.152 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.441 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 49.0 m -57.14 -53.33 59.28 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 124.009 0.818 . . . . 0.0 108.85 177.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 43.1 tt0 -62.76 -43.04 99.84 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-N 114.682 -1.144 . . . . 0.0 110.279 -175.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 40.1 m -63.71 -47.41 81.22 Favored 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 114.38 -1.282 . . . . 0.0 110.47 -178.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.45 -35.96 92.74 Favored Glycine 0 C--O 1.205 -1.691 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.9 mmmt -65.76 -32.2 73.61 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 177.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 29.6 mtpp -74.68 -35.68 62.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.449 0.642 . . . . 0.0 111.074 178.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' A' ' 28' ' ' VAL . 97.2 mtt180 -86.55 -54.58 4.32 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 122.183 0.992 . . . . 0.0 112.288 -176.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.95 -0.16 27.13 Favored Glycine 0 N--CA 1.426 -2.023 0 CA-C-N 113.357 -1.747 . . . . 0.0 109.739 -173.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.2 p -159.79 158.42 2.51 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.675 0 CA-C-N 115.431 -0.384 . . . . 0.0 110.317 -173.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 58.4 mt -149.25 139.19 22.0 Favored 'General case' 0 C--N 1.306 -1.29 0 C-N-CA 124.733 1.213 . . . . 0.0 108.401 174.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.471 HG22 HG13 ' A' ' 63' ' ' ILE . 25.5 p -75.92 141.02 42.4 Favored 'General case' 0 C--N 1.313 -1.005 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 171.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.413 ' HD2' ' CZ ' ' A' ' 52' ' ' TYR . 59.6 m-85 -53.27 -41.79 65.88 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.13 0.49 . . . . 0.0 112.079 178.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -70.18 -33.73 72.1 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -175.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.3 pt-20 -74.67 -22.74 58.71 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 119.222 -0.991 . . . . 0.0 109.069 -176.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.451 HG23 HD13 ' A' ' 19' ' ' LEU . 89.5 mt -71.66 -41.56 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.569 0 CA-C-N 114.694 -1.139 . . . . 0.0 109.458 176.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.78 -28.32 68.29 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 124.06 0.944 . . . . 0.0 110.917 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -59.78 -53.04 62.54 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.052 -175.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.9 mmt85 -71.79 -23.39 61.56 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.329 -177.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 22.8 mmt -84.92 -6.43 59.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.755 179.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -76.03 -12.99 60.23 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-O 121.151 0.501 . . . . 0.0 109.727 -178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.9 m -72.93 -25.93 61.21 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 173.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.8 m-85 -105.38 -171.36 1.9 Allowed 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -122.62 91.59 3.53 Favored 'General case' 0 C--N 1.291 -1.942 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 173.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 34.9 mm -112.13 122.52 66.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.546 0 CA-C-N 115.626 -0.716 . . . . 0.0 109.802 -175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' A' ' 47' ' ' GLN . 42.9 mt-10 -70.51 154.39 41.93 Favored 'General case' 0 C--N 1.295 -1.791 0 CA-C-N 115.027 -0.988 . . . . 0.0 109.22 178.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 22.0 t -63.26 -26.65 68.88 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 121.4 0.619 . . . . 0.0 109.498 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -62.46 -45.0 95.05 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.349 176.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.422 ' HG3' ' HB2' ' A' ' 44' ' ' GLU . 16.1 mt-30 -72.55 -35.82 68.11 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.274 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.52 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -57.68 -41.63 81.98 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.573 177.466 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.56 -35.82 80.69 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 121.26 -0.176 . . . . 0.0 110.883 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -59.7 -43.02 94.27 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 19.7 t80 -69.44 -39.0 78.08 Favored 'General case' 0 N--CA 1.444 -0.774 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.146 177.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.413 ' CZ ' ' HD2' ' A' ' 31' ' ' TYR . 23.0 m-85 -61.58 -44.67 96.59 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 120.985 0.421 . . . . 0.0 111.4 -179.062 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.522 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 35.4 tt0 -64.49 -39.21 93.37 Favored 'General case' 0 N--CA 1.433 -1.3 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.699 178.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -57.98 -51.3 70.23 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 123.944 0.777 . . . . 0.0 109.712 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.498 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.1 mt -56.61 -45.23 81.58 Favored 'General case' 0 C--O 1.242 0.685 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.55 179.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.25 -40.46 97.4 Favored Glycine 0 N--CA 1.443 -0.838 0 CA-C-N 114.42 -1.264 . . . . 0.0 111.749 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 89.9 mt-10 -65.73 -32.31 73.79 Favored 'General case' 0 N--CA 1.437 -1.079 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 177.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.438 ' HB3' ' HD3' ' A' ' 24' ' ' LYS . 86.5 mm-40 -78.44 -43.45 27.2 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 179.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.18 40.8 0.1 Allowed Glycine 0 C--N 1.294 -1.787 0 C-N-CA 120.382 -0.913 . . . . 0.0 112.195 176.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.498 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 23.7 t -125.27 124.53 67.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 178.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 51.7 mt-10 -91.52 135.82 33.58 Favored 'General case' 0 C--N 1.286 -2.153 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 176.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -99.25 116.11 30.69 Favored 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 119.498 -0.881 . . . . 0.0 111.184 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 30' ' ' THR . 24.1 pt -98.05 169.75 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.485 175.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.1 t -66.0 -90.64 0.01 OUTLIER 'General case' 0 C--N 1.303 -1.427 0 C-N-CA 123.216 0.606 . . . . 0.0 112.199 179.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' HA ' HG21 ' A' ' 30' ' ' THR . 4.2 tm-20 175.9 -32.22 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 124.817 1.247 . . . . 0.0 108.079 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -75.0 -10.47 59.5 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 122.428 1.109 . . . . 0.0 110.449 174.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.406 ' HG3' ' HB ' ' A' ' 63' ' ' ILE . 18.7 pt-20 -123.89 157.75 33.51 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-N 114.836 -1.075 . . . . 0.0 108.867 -177.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -176.16 180.0 1.19 Allowed 'General case' 0 C--N 1.298 -1.632 0 N-CA-C 103.3 -2.852 . . . . 0.0 103.3 176.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 21.0 p -121.9 -6.26 9.03 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 118.94 0.791 . . . . 0.0 111.766 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -70.41 -31.67 68.97 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 174.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -102.4 84.71 2.49 Favored 'General case' 0 N--CA 1.413 -2.308 0 CA-C-O 122.187 0.994 . . . . 0.0 111.912 -178.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.8 mt -121.76 0.53 9.83 Favored 'General case' 0 C--N 1.275 -2.656 0 CA-C-N 113.362 -1.745 . . . . 0.0 106.538 169.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -158.55 12.98 0.17 Allowed 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.442 -176.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 56.7 m170 -92.59 -31.33 15.21 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 108.789 -0.819 . . . . 0.0 108.789 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 53.2 t-80 -60.98 -72.47 0.11 Allowed 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.765 172.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.4 t60 . . . . . 0 C--O 1.234 0.26 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 175.599 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.573 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -115.07 87.74 2.72 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 121.663 0.744 . . . . 0.0 109.797 176.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.482 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 35.9 mmtp -114.45 -4.53 12.9 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 114.897 -1.047 . . . . 0.0 109.126 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HG2' HE21 ' A' ' 14' ' ' GLN . 12.6 pt20 -86.15 69.07 10.46 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 122.149 0.976 . . . . 0.0 111.757 -175.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.6 p -95.93 4.93 52.32 Favored 'General case' 0 C--N 1.3 -1.554 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.269 177.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.448 ' CG ' ' HB2' ' A' ' 9' ' ' GLU . 12.1 t-160 -99.98 151.13 21.7 Favored 'General case' 0 C--N 1.306 -1.31 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -65.04 91.09 0.09 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 112.867 0.692 . . . . 0.0 112.867 -177.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 5.6 m 65.67 5.48 3.34 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.415 1.486 . . . . 0.0 112.436 177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.448 ' HB2' ' CG ' ' A' ' 6' ' ' HIS . 30.2 mm-40 -98.01 125.52 43.0 Favored 'General case' 0 C--N 1.271 -2.814 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 175.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.588 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.3 OUTLIER -108.04 172.06 7.05 Favored 'General case' 0 N--CA 1.409 -2.476 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -174.515 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.494 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 33.8 p -105.75 179.17 4.35 Favored 'General case' 0 N--CA 1.411 -2.38 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -61.23 -36.67 80.59 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 122.106 0.955 . . . . 0.0 111.536 -177.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -63.04 -42.4 99.72 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 113.595 -1.638 . . . . 0.0 110.722 175.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.588 ' HB2' ' HB3' ' A' ' 10' ' ' LEU . 11.4 mm100 -73.18 -40.14 65.03 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.184 -172.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 70.3 t -70.78 -38.39 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.899 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -178.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -56.95 -47.08 81.51 Favored 'General case' 0 N--CA 1.408 -2.559 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.332 173.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.5 -28.0 69.53 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.589 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 8.1 pt20 -70.61 -51.21 29.74 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-O 122.082 0.944 . . . . 0.0 108.763 -178.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.402 ' O ' HD11 ' A' ' 29' ' ' LEU . 29.4 mt -66.69 -42.34 86.64 Favored 'General case' 0 N--CA 1.416 -2.168 0 CA-C-N 113.642 -1.617 . . . . 0.0 112.245 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 16.4 m -57.77 -50.88 71.77 Favored 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.051 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.436 ' HG2' ' HD2' ' A' ' 25' ' ' LYS . 28.9 tt0 -63.15 -40.44 97.58 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 121.604 0.716 . . . . 0.0 109.649 -176.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.0 m -63.13 -45.33 92.44 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.609 -177.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -64.95 -35.92 92.47 Favored Glycine 0 N--CA 1.425 -2.068 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 177.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 58' ' ' GLN . 26.4 mmmt -64.55 -36.54 84.56 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 177.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD2' ' HG2' ' A' ' 21' ' ' GLU . 43.3 mtpt -76.05 -32.17 59.18 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 121.139 0.495 . . . . 0.0 111.451 -179.031 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -89.75 -52.76 4.83 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-O 122.577 1.179 . . . . 0.0 112.48 -179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 112.26 -1.01 26.71 Favored Glycine 0 N--CA 1.434 -1.484 0 CA-C-N 113.454 -1.703 . . . . 0.0 109.955 -174.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.432 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 11.2 p -159.45 150.66 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.495 0 CA-C-O 121.071 0.462 . . . . 0.0 111.053 -175.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.402 HD11 ' O ' ' A' ' 19' ' ' LEU . 60.9 mt -138.08 145.45 41.73 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.849 175.415 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.505 HG22 HG13 ' A' ' 63' ' ' ILE . 32.1 p -79.68 139.37 37.4 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 171.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -54.61 -36.89 64.94 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 121.131 0.491 . . . . 0.0 111.546 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -78.64 -26.77 45.25 Favored 'General case' 0 N--CA 1.424 -1.757 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -172.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.9 pt-20 -74.38 -26.14 59.92 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 178.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.409 ' O ' ' HG2' ' A' ' 38' ' ' MET . 81.6 mt -68.95 -43.04 82.48 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.687 0 CA-C-N 114.325 -1.307 . . . . 0.0 109.609 176.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.01 -33.42 74.57 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-O 121.827 0.822 . . . . 0.0 110.209 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 33' ' ' GLU . 29.0 tt0 -59.39 -51.87 68.05 Favored 'General case' 0 C--O 1.213 -0.855 0 C-N-CA 125.325 1.45 . . . . 0.0 111.631 -173.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -72.47 -21.7 61.18 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 121.038 0.447 . . . . 0.0 110.676 -177.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.7 mmt -85.6 2.7 43.95 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.639 -178.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.4 p -66.22 -17.51 64.78 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.3 0.572 . . . . 0.0 111.973 -178.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 15.9 m -74.21 -20.74 60.09 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-O 121.564 0.697 . . . . 0.0 109.644 177.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.7 m-85 -112.64 -177.57 3.18 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -119.68 72.83 0.93 Allowed 'General case' 0 C--N 1.296 -1.75 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.475 HG12 ' HB2' ' A' ' 41' ' ' PHE . 37.8 mm -92.59 119.7 40.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.158 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.153 -174.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -71.99 156.61 39.04 Favored 'General case' 0 C--N 1.294 -1.818 0 CA-C-N 115.065 -0.971 . . . . 0.0 109.183 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.7 m -60.45 -27.51 67.58 Favored 'General case' 0 C--N 1.31 -1.128 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.13 177.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.57 -46.19 80.4 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -66.51 -38.92 88.26 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.34 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.454 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -61.09 -40.53 94.07 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.303 177.544 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -63.08 -35.93 81.9 Favored 'General case' 0 C--O 1.249 1.074 0 CA-C-N 115.824 -0.626 . . . . 0.0 110.184 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -61.69 -43.34 99.05 Favored 'General case' 0 CA--C 1.515 -0.383 0 CA-C-O 121.685 0.755 . . . . 0.0 109.153 175.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 23.3 t80 -68.22 -36.59 79.74 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.271 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -62.85 -40.25 96.86 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.995 0.426 . . . . 0.0 110.401 178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.97 -45.63 88.24 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.767 175.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.444 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 44.9 t80 -56.81 -50.32 72.72 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.706 178.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.528 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 91.7 mt -57.94 -43.26 86.24 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.365 178.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.49 -40.76 98.16 Favored Glycine 0 C--O 1.241 0.532 0 CA-C-N 114.65 -1.159 . . . . 0.0 111.231 177.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.73 -33.86 76.6 Favored 'General case' 0 N--CA 1.431 -1.396 0 C-N-CA 123.292 0.637 . . . . 0.0 112.3 178.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 73.7 mm-40 -79.8 -39.5 30.69 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 133.2 43.43 0.15 Allowed Glycine 0 C--N 1.303 -1.27 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.647 176.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.528 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 21.4 t -127.28 125.04 65.31 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.132 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 46.5 mt-10 -92.57 142.42 27.42 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 108.356 -0.979 . . . . 0.0 108.356 174.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.6 121.45 42.95 Favored 'General case' 0 N--CA 1.421 -1.905 0 C-N-CA 119.528 -0.869 . . . . 0.0 111.221 -179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.505 HG13 HG22 ' A' ' 30' ' ' THR . 29.6 pt -103.41 171.73 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.659 175.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 45.5 t -68.36 -86.04 0.02 OUTLIER 'General case' 0 C--N 1.315 -0.92 0 O-C-N 123.286 0.366 . . . . 0.0 111.64 -179.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.443 ' HA ' ' CG2' ' A' ' 30' ' ' THR . 38.8 tt0 173.47 -34.43 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.009 0 C-N-CA 125.327 1.451 . . . . 0.0 107.704 179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -81.68 16.85 1.62 Allowed 'General case' 0 N--CA 1.478 0.948 0 CA-C-O 122.421 1.105 . . . . 0.0 109.817 177.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -140.67 151.05 44.26 Favored 'General case' 0 N--CA 1.413 -2.292 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -151.44 162.14 41.47 Favored 'General case' 0 C--N 1.283 -2.29 0 N-CA-C 106.942 -1.503 . . . . 0.0 106.942 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 7.4 p -86.48 0.01 55.1 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 122.142 0.972 . . . . 0.0 109.556 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -79.26 0.07 30.2 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 114.35 -1.295 . . . . 0.0 110.656 -175.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -73.25 -13.51 61.15 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 122.99 1.376 . . . . 0.0 109.69 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 56.6 mt -94.93 8.78 41.69 Favored 'General case' 0 C--N 1.291 -1.948 0 CA-C-N 113.688 -1.596 . . . . 0.0 110.077 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 53.19 92.86 0.02 OUTLIER 'General case' 0 C--N 1.353 0.749 0 C-N-CA 124.414 1.085 . . . . 0.0 113.142 -177.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -96.43 -75.46 0.53 Allowed 'General case' 0 C--N 1.31 -1.116 0 N-CA-C 113.917 1.08 . . . . 0.0 113.917 -175.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 24.7 m-70 -85.16 -79.76 0.22 Allowed 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 111.823 0.305 . . . . 0.0 111.823 -173.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.1 p-80 . . . . . 0 C--N 1.297 -1.69 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -177.591 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.902 0 CA-C-O 120.797 0.332 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.562 ' OD1' ' HB3' ' A' ' 13' ' ' ASP . 12.1 p-10 -136.16 -160.09 1.02 Allowed 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -173.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -132.39 131.89 42.28 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 176.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.533 ' HB3' ' HG3' ' A' ' 14' ' ' GLN . 28.1 pt20 -65.18 115.38 5.47 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 108.162 -1.051 . . . . 0.0 108.162 174.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.5 t -89.28 -8.71 52.82 Favored 'General case' 0 C--N 1.304 -1.405 0 CA-C-O 121.817 0.818 . . . . 0.0 109.22 -178.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.499 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 24.6 m170 -101.33 151.07 22.33 Favored 'General case' 0 N--CA 1.433 -1.305 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -93.61 118.42 31.35 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 -177.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.1 m 68.71 18.44 8.71 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-O 122.661 1.219 . . . . 0.0 109.91 -178.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.499 ' O ' ' HB2' ' A' ' 6' ' ' HIS . 37.8 mm-40 -140.66 118.77 11.95 Favored 'General case' 0 N--CA 1.425 -1.69 0 CA-C-N 114.304 -1.316 . . . . 0.0 107.928 178.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.51 ' HB3' ' CB ' ' A' ' 14' ' ' GLN . 0.4 OUTLIER -105.54 175.48 5.48 Favored 'General case' 0 C--N 1.276 -2.615 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.529 -174.114 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.528 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 49.0 p -100.67 178.13 4.8 Favored 'General case' 0 N--CA 1.411 -2.403 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -66.5 -38.78 87.98 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 122.654 1.216 . . . . 0.0 110.306 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.562 ' HB3' ' OD1' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -65.86 -34.99 79.41 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 112.728 -2.033 . . . . 0.0 111.986 175.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.533 ' HG3' ' HB3' ' A' ' 4' ' ' GLN . 26.3 mm-40 -73.32 -40.23 64.65 Favored 'General case' 0 CA--C 1.494 -1.189 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.361 179.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.568 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 53.0 t -70.54 -36.79 67.47 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.924 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -177.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.53 ' HE3' ' HA ' ' A' ' 13' ' ' ASP . 47.1 mtmt -57.22 -47.25 81.79 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.639 171.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -62.17 -30.13 70.84 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.869 0.692 . . . . 0.0 112.869 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.568 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 7.8 pt20 -70.36 -50.4 39.33 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-O 122.286 1.041 . . . . 0.0 108.702 -178.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.457 HD13 HG23 ' A' ' 34' ' ' ILE . 27.8 mt -66.18 -39.26 89.59 Favored 'General case' 0 N--CA 1.411 -2.401 0 CA-C-N 113.488 -1.687 . . . . 0.0 112.307 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.456 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 17.0 m -58.82 -52.55 65.22 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 123.848 0.717 . . . . 0.0 110.538 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 10.1 tp10 -63.7 -41.12 98.16 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 122.111 0.957 . . . . 0.0 110.199 -175.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.428 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 24.0 m -65.35 -43.97 89.16 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 114.281 -1.327 . . . . 0.0 110.504 -177.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -65.24 -34.23 88.97 Favored Glycine 0 C--O 1.206 -1.608 0 N-CA-C 111.583 -0.607 . . . . 0.0 111.583 177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.8 mmmt -64.34 -33.76 76.58 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.214 0.45 . . . . 0.0 112.214 177.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 28.9 mtpp -74.82 -39.63 61.55 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 122.076 0.941 . . . . 0.0 110.336 178.429 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.428 ' HG3' ' O ' ' A' ' 22' ' ' SER . 95.0 mtt180 -82.95 -44.2 15.58 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 114.635 -1.166 . . . . 0.0 112.715 -173.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.76 7.95 58.53 Favored Glycine 0 N--CA 1.423 -2.182 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 -175.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 8.9 p -166.66 156.72 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.419 -2.019 0 CA-C-N 115.114 -0.543 . . . . 0.0 110.582 -173.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.2 mt -149.52 137.47 20.43 Favored 'General case' 0 C--N 1.302 -1.461 0 C-N-CA 124.787 1.235 . . . . 0.0 108.108 174.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.538 HG22 HG13 ' A' ' 63' ' ' ILE . 27.2 p -76.74 141.84 40.67 Favored 'General case' 0 C--N 1.31 -1.152 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 172.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 56.9 m-85 -56.21 -41.87 76.29 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-O 121.442 0.639 . . . . 0.0 110.948 -179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -73.61 -16.45 61.24 Favored 'General case' 0 N--CA 1.428 -1.547 0 N-CA-C 114.508 1.299 . . . . 0.0 114.508 -174.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 30' ' ' THR . 13.5 pt-20 -88.86 -25.25 22.26 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 118.876 -1.13 . . . . 0.0 108.007 176.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.457 HG23 HD13 ' A' ' 19' ' ' LEU . 79.8 mt -68.82 -41.56 82.31 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.538 0 N-CA-C 108.233 -1.025 . . . . 0.0 108.233 176.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.18 -28.6 67.41 Favored 'General case' 0 N--CA 1.432 -1.358 0 C-N-CA 124.395 1.078 . . . . 0.0 110.296 177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -62.09 -48.3 80.79 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 124.764 1.226 . . . . 0.0 110.655 -174.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.42 ' HA ' ' HD3' ' A' ' 37' ' ' ARG . 8.8 mmt85 -73.39 -27.52 61.51 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 120.981 0.419 . . . . 0.0 110.95 178.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.424 ' HG2' ' O ' ' A' ' 34' ' ' ILE . 24.6 mmt -83.18 -9.12 59.34 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.596 -177.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.1 m -59.09 -29.88 67.68 Favored 'General case' 0 C--O 1.224 -0.255 0 C-N-CA 122.581 0.352 . . . . 0.0 111.279 -178.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.9 m -63.26 -32.9 74.42 Favored 'General case' 0 CA--C 1.552 1.025 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -93.75 -26.78 16.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.301 -178.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 63.76 72.28 0.47 Allowed 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.856 0.862 . . . . 0.0 109.031 -173.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.454 ' CG2' ' HB2' ' A' ' 47' ' ' GLN . 36.1 mm -86.82 133.77 29.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 CA-C-N 114.532 -1.213 . . . . 0.0 111.148 -175.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -65.91 151.47 46.67 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 113.786 -1.552 . . . . 0.0 110.768 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.2 m -60.52 -29.18 68.95 Favored 'General case' 0 N--CA 1.432 -1.331 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.067 177.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -56.98 -53.52 57.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.44 0.696 . . . . 0.0 109.923 175.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.454 ' HB2' ' CG2' ' A' ' 43' ' ' ILE . 8.1 mt-30 -72.35 -32.09 66.18 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.253 -177.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.504 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.2 OUTLIER -62.83 -47.65 82.51 Favored 'General case' 0 C--O 1.212 -0.884 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.662 178.74 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.71 -42.23 88.2 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 123.146 0.578 . . . . 0.0 109.97 178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -60.14 -43.4 95.76 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 114.732 -1.122 . . . . 0.0 109.399 178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -68.45 -38.65 81.33 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.873 177.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -61.99 -41.83 98.47 Favored 'General case' 0 CA--C 1.507 -0.687 0 CA-C-O 121.33 0.586 . . . . 0.0 111.196 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 57' ' ' GLU . 30.2 tt0 -64.97 -42.11 94.85 Favored 'General case' 0 N--CA 1.436 -1.156 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.436 177.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.45 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 40.3 t80 -57.2 -51.3 69.87 Favored 'General case' 0 N--CA 1.444 -0.739 0 O-C-N 123.659 0.599 . . . . 0.0 110.383 175.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 80.1 mt -57.57 -41.55 81.31 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.143 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.86 -38.24 95.02 Favored Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.7 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' HG2' ' O ' ' A' ' 53' ' ' GLU . 32.6 mm-40 -63.33 -36.83 84.98 Favored 'General case' 0 N--CA 1.438 -1.068 0 C-N-CA 122.656 0.382 . . . . 0.0 111.921 177.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 63.4 mm-40 -77.97 -44.85 25.54 Favored 'General case' 0 N--CA 1.45 -0.454 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -177.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.09 36.45 0.1 OUTLIER Glycine 0 C--N 1.304 -1.207 0 C-N-CA 120.209 -0.996 . . . . 0.0 113.177 174.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.504 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.4 t -119.96 126.02 74.87 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.416 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 -178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 39.9 mt-10 -90.68 133.07 35.41 Favored 'General case' 0 C--N 1.293 -1.849 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.431 HD12 HD11 ' A' ' 34' ' ' ILE . 1.2 mm? -100.07 111.95 24.24 Favored 'General case' 0 C--N 1.29 -2.015 0 C-N-CA 120.131 -0.628 . . . . 0.0 111.129 -178.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.538 HG13 HG22 ' A' ' 30' ' ' THR . 33.8 pt -98.18 169.95 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.625 177.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.413 ' O ' ' HB ' ' A' ' 30' ' ' THR . 33.2 t -67.11 -86.1 0.02 OUTLIER 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.266 0.555 . . . . 0.0 112.327 179.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 67' ' ' GLU . 37.6 tt0 160.02 -25.79 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.217 0 N-CA-C 103.546 -2.761 . . . . 0.0 103.546 -178.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -80.06 17.1 1.05 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 113.519 -1.673 . . . . 0.0 109.684 172.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 65' ' ' GLU . 16.4 pt-20 -156.52 152.37 27.25 Favored 'General case' 0 N--CA 1.425 -1.698 0 N-CA-C 104.402 -2.444 . . . . 0.0 104.402 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' OE1' ' HB2' ' A' ' 71' ' ' ASP . 30.5 tt0 -177.23 125.25 0.14 Allowed 'General case' 0 C--N 1.296 -1.72 0 O-C-N 124.327 1.017 . . . . 0.0 108.748 178.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 27.7 p -105.71 -14.56 15.21 Favored 'General case' 0 C--N 1.288 -2.09 0 CA-C-O 121.558 0.694 . . . . 0.0 112.565 -174.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 68' ' ' GLU . 12.0 pt-20 -77.1 -19.45 56.98 Favored 'General case' 0 C--N 1.291 -1.966 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.829 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' HB2' ' OE1' ' A' ' 68' ' ' GLU . 34.6 t70 -79.67 -13.93 59.14 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.447 -173.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.5 mt -75.54 -24.75 56.78 Favored 'General case' 0 C--N 1.291 -1.974 0 CA-C-N 114.527 -1.215 . . . . 0.0 108.881 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -127.19 52.31 1.82 Allowed 'General case' 0 N--CA 1.438 -1.069 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 177.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -68.45 -44.24 75.31 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-N 113.743 -1.572 . . . . 0.0 110.393 -175.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 63.96 -86.95 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.307 1.043 . . . . 0.0 110.425 -173.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.4 t60 . . . . . 0 N--CA 1.427 -1.607 0 N-CA-C 106.835 -1.543 . . . . 0.0 106.835 -179.524 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.497 0 CA-C-O 120.836 0.351 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -149.12 -170.74 3.71 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 -178.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -77.79 112.66 14.87 Favored 'General case' 0 C--N 1.31 -1.115 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.25 168.05 0.58 Allowed 'General case' 0 N--CA 1.47 0.545 0 O-C-N 123.997 0.81 . . . . 0.0 112.889 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.0 p -63.31 167.15 5.53 Favored 'General case' 0 N--CA 1.43 -1.465 0 CA-C-N 114.989 -1.005 . . . . 0.0 112.18 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -70.35 150.01 46.75 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 70.21 -160.9 0.16 Allowed 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 124.417 1.087 . . . . 0.0 112.751 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 6.2 p -75.54 9.82 2.02 Favored 'General case' 0 C--O 1.246 0.904 0 N-CA-C 115.979 1.844 . . . . 0.0 115.979 -171.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -112.61 143.67 43.41 Favored 'General case' 0 C--N 1.276 -2.625 0 CA-C-O 120.964 0.412 . . . . 0.0 110.145 -178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.59 -179.1 4.62 Favored 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.082 -1.451 . . . . 0.0 107.082 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.547 ' H ' ' HB2' ' A' ' 14' ' ' GLN . 12.4 p -96.26 174.88 6.67 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 -179.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -64.22 -37.17 86.51 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 122.888 1.328 . . . . 0.0 110.199 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -61.61 -42.27 98.64 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 112.014 -2.357 . . . . 0.0 110.483 174.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.547 ' HB2' ' H ' ' A' ' 11' ' ' THR . 16.4 mm100 -76.44 -35.04 58.71 Favored 'General case' 0 N--CA 1.427 -1.613 0 CA-C-N 114.677 -1.147 . . . . 0.0 110.909 -175.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.566 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 44.4 t -72.29 -40.0 64.58 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.623 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -178.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -55.84 -47.76 76.66 Favored 'General case' 0 N--CA 1.411 -2.408 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . 0.25 53.7 mt-10 -65.15 -24.99 67.55 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 115.284 1.587 . . . . 0.0 115.284 175.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.566 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 2.8 pt20 -70.93 -49.9 40.62 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 178.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.1 mt -64.31 -41.39 96.86 Favored 'General case' 0 N--CA 1.421 -1.887 0 CA-C-N 113.574 -1.648 . . . . 0.0 111.549 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.482 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 8.5 m -60.59 -50.83 71.96 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.522 178.002 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.629 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 9.7 tp10 -60.4 -44.38 95.74 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 -176.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 m -62.09 -49.31 76.44 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.368 -1.287 . . . . 0.0 110.429 -179.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -63.66 -35.5 92.12 Favored Glycine 0 C--O 1.211 -1.32 0 CA-C-N 116.031 -0.531 . . . . 0.0 112.301 179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 20' ' ' THR . 27.5 mmmt -64.76 -31.32 72.49 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 123.816 0.362 . . . . 0.0 111.344 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.629 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.6 mtpp -74.53 -43.31 56.42 Favored 'General case' 0 CA--C 1.503 -0.834 0 CA-C-O 121.721 0.772 . . . . 0.0 110.213 178.301 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -78.27 -48.13 16.39 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.53 -173.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.54 9.37 47.1 Favored Glycine 0 N--CA 1.42 -2.411 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 -173.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.9 p -164.94 156.75 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.425 -1.723 0 CA-C-N 115.06 -0.57 . . . . 0.0 111.23 -173.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' O ' ' HA ' ' A' ' 62' ' ' LEU . 56.4 mt -152.65 135.22 15.26 Favored 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 125.07 1.348 . . . . 0.0 108.051 174.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.55 HG22 HG13 ' A' ' 63' ' ' ILE . 33.6 p -75.99 144.88 40.67 Favored 'General case' 0 C--N 1.306 -1.299 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 172.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -56.01 -37.31 68.97 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-O 121.664 0.745 . . . . 0.0 110.788 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -72.25 -28.69 63.31 Favored 'General case' 0 N--CA 1.434 -1.249 0 N-CA-C 114.045 1.128 . . . . 0.0 114.045 -175.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 30' ' ' THR . 12.9 pt-20 -79.22 -28.85 42.53 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 177.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.442 HD11 HD12 ' A' ' 62' ' ' LEU . 83.9 mt -66.15 -42.55 91.46 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.806 0 CA-C-N 114.751 -1.113 . . . . 0.0 109.52 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.15 -32.29 73.3 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 123.84 0.856 . . . . 0.0 110.719 178.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -62.76 -44.01 97.31 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 115.052 -0.976 . . . . 0.0 112.394 -172.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 65.6 mmt-85 -70.94 -25.45 62.74 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-O 121.665 0.745 . . . . 0.0 110.033 179.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.3 mmt -82.42 1.33 37.91 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.979 -175.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.8 p -71.71 -14.15 61.94 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-O 122.059 0.933 . . . . 0.0 109.757 177.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.4 m -67.13 -29.93 69.8 Favored 'General case' 0 N--CA 1.432 -1.366 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.009 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.465 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.9 m-85 -115.79 -172.1 2.1 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.935 0.894 . . . . 0.0 108.88 -178.205 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.35 83.78 2.04 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 172.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.465 HG12 ' HB2' ' A' ' 41' ' ' PHE . 48.3 mm -95.9 125.21 48.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 CA-C-O 122.139 0.971 . . . . 0.0 110.231 -176.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -78.55 168.52 19.66 Favored 'General case' 0 C--N 1.286 -2.16 0 CA-C-N 113.605 -1.634 . . . . 0.0 110.686 -175.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.1 t -67.06 -34.33 77.43 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -71.99 -36.74 69.86 Favored 'General case' 0 CA--C 1.494 -1.204 0 CA-C-O 121.756 0.788 . . . . 0.0 109.508 -179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -64.6 -45.07 88.5 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-N 114.084 -1.416 . . . . 0.0 109.236 178.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.489 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 1.1 mmt -63.57 -47.48 81.32 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.963 176.102 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.475 ' HA ' ' CD2' ' A' ' 52' ' ' TYR . 35.5 t70 -63.07 -38.25 90.43 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -177.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -64.3 -36.57 84.54 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.431 ' CE2' HD11 ' A' ' 55' ' ' LEU . 23.6 t80 -69.09 -37.03 78.21 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 177.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 49' ' ' ASP . 22.9 m-85 -61.84 -42.47 99.08 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.22 0.533 . . . . 0.0 110.465 179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 57' ' ' GLU . 10.1 tp10 -64.08 -45.74 87.38 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.292 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.464 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 49.4 t80 -55.59 -51.14 68.13 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.247 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.431 HD11 ' CE2' ' A' ' 51' ' ' TYR . 82.3 mt -57.14 -42.03 80.21 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.237 0.542 . . . . 0.0 111.582 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.45 -40.88 99.28 Favored Glycine 0 CA--C 1.503 -0.658 0 CA-C-N 114.214 -1.357 . . . . 0.0 111.104 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 53' ' ' GLU . 42.9 mt-10 -63.26 -35.05 79.04 Favored 'General case' 0 N--CA 1.427 -1.603 0 C-N-CA 122.676 0.391 . . . . 0.0 110.996 178.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 24.2 mm-40 -78.17 -48.93 14.81 Favored 'General case' 0 C--N 1.346 0.434 0 N-CA-C 110.24 -0.281 . . . . 0.0 110.24 -177.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.55 54.86 0.04 OUTLIER Glycine 0 C--N 1.301 -1.401 0 C-N-CA 120.494 -0.86 . . . . 0.0 111.819 176.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 39.8 t -138.33 131.52 40.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -93.02 130.48 38.59 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 174.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.523 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -95.97 103.43 15.32 Favored 'General case' 0 C--N 1.289 -2.058 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.506 178.817 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.55 HG13 HG22 ' A' ' 30' ' ' THR . 32.2 pt -89.73 172.33 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.993 178.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.459 ' O ' ' HB ' ' A' ' 30' ' ' THR . 47.7 t -67.79 -87.29 0.02 OUTLIER 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 121.131 0.491 . . . . 0.0 112.033 -179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' HA ' HG21 ' A' ' 30' ' ' THR . 26.2 tt0 170.41 -29.06 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.022 0 C-N-CA 126.651 1.98 . . . . 0.0 105.74 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -68.71 -5.66 21.77 Favored 'General case' 0 C--N 1.343 0.308 0 CA-C-N 114.166 -1.379 . . . . 0.0 110.418 173.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 17.1 pt-20 -134.92 151.39 50.83 Favored 'General case' 0 N--CA 1.411 -2.386 0 N-CA-C 106.155 -1.795 . . . . 0.0 106.155 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 0.8 OUTLIER 168.99 150.54 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.295 0 N-CA-C 105.391 -2.077 . . . . 0.0 105.391 -179.533 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . 0.253 14.5 t -164.12 18.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.776 1.398 . . . . 0.0 114.776 175.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.12 -14.79 9.9 Favored 'General case' 0 C--N 1.283 -2.303 0 C-N-CA 119.189 -1.004 . . . . 0.0 109.846 176.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -100.5 -11.88 19.77 Favored 'General case' 0 CA--C 1.493 -1.218 0 CA-C-O 122.591 1.186 . . . . 0.0 109.104 -178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.5 mt -67.9 -18.27 64.73 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-N 113.971 -1.468 . . . . 0.0 108.728 172.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -90.66 -11.74 38.9 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.613 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -92.54 92.26 7.97 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-O 122.36 1.076 . . . . 0.0 113.385 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 11.4 p-80 -100.52 12.11 38.01 Favored 'General case' 0 C--N 1.289 -2.065 0 CA-C-N 113.159 -1.837 . . . . 0.0 107.663 170.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 . . . . . 0 N--CA 1.425 -1.713 0 CA-C-N 114.132 -1.395 . . . . 0.0 109.381 -178.826 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.442 0 N-CA-C 111.648 0.24 . . . . 0.0 111.648 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.48 ' OD1' ' HG3' ' A' ' 3' ' ' LYS . 22.1 t70 -124.92 -65.11 1.05 Allowed 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 178.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' HG3' ' OD1' ' A' ' 2' ' ' ASP . 63.7 mttp -136.0 172.89 12.35 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 122.628 0.371 . . . . 0.0 110.466 178.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 4.7 pt20 -81.31 -171.34 3.21 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.041 0.448 . . . . 0.0 111.672 -178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.2 p -85.31 -176.27 6.06 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.771 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -72.23 -19.89 61.64 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -85.6 -167.59 1.9 Allowed 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 176.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 23.7 p -85.92 5.82 31.29 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.743 0.783 . . . . 0.0 110.802 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.428 ' O ' ' HB2' ' A' ' 4' ' ' GLN . 16.0 mm-40 -92.18 149.45 21.47 Favored 'General case' 0 N--CA 1.409 -2.487 0 CA-C-N 114.644 -1.162 . . . . 0.0 109.392 -173.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.638 ' HB3' ' HB2' ' A' ' 14' ' ' GLN . 0.2 OUTLIER -121.22 175.59 6.04 Favored 'General case' 0 C--N 1.286 -2.18 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -177.259 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.649 ' OG1' ' HG2' ' A' ' 14' ' ' GLN . 8.0 p -100.98 178.22 4.73 Favored 'General case' 0 C--N 1.306 -1.326 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -62.78 -37.85 88.3 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 122.845 1.307 . . . . 0.0 110.851 -179.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -62.31 -42.34 99.29 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-N 112.398 -2.183 . . . . 0.0 109.878 175.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.649 ' HG2' ' OG1' ' A' ' 11' ' ' THR . 12.0 mm100 -75.97 -34.83 59.81 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.421 -171.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.565 ' O ' ' HG2' ' A' ' 18' ' ' GLN . 54.9 t -71.02 -42.08 76.8 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.1 mtmt -55.84 -47.62 76.95 Favored 'General case' 0 N--CA 1.418 -2.03 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.939 172.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -61.53 -29.98 70.35 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 112.882 0.697 . . . . 0.0 112.882 176.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 15' ' ' VAL . 1.9 pt20 -69.97 -49.59 50.15 Favored 'General case' 0 CA--C 1.481 -1.694 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 -178.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.502 ' O ' HD11 ' A' ' 29' ' ' LEU . 33.1 mt -66.34 -41.26 89.83 Favored 'General case' 0 N--CA 1.404 -2.766 0 CA-C-N 113.55 -1.659 . . . . 0.0 112.008 -178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.569 ' O ' ' HG2' ' A' ' 24' ' ' LYS . 23.5 m -58.37 -55.6 32.98 Favored 'General case' 0 CA--C 1.501 -0.925 0 O-C-N 123.847 0.717 . . . . 0.0 109.347 177.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 25' ' ' LYS . 36.2 tt0 -64.1 -41.79 97.15 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.909 -174.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.536 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 54.4 m -61.32 -48.19 82.48 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.155 178.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -62.69 -34.48 89.77 Favored Glycine 0 C--O 1.206 -1.622 0 N-CA-C 111.587 -0.605 . . . . 0.0 111.587 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 20' ' ' THR . 28.1 mmmt -63.94 -35.07 79.48 Favored 'General case' 0 C--N 1.318 -0.795 0 C-N-CA 122.665 0.386 . . . . 0.0 111.53 178.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 21' ' ' GLU . 27.4 mtpp -73.93 -47.71 35.83 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.733 0.778 . . . . 0.0 109.693 178.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.607 ' NH2' ' HB2' ' A' ' 70' ' ' GLU . 70.4 mtp180 -76.06 -47.0 26.36 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.495 -1.23 . . . . 0.0 111.339 -172.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.05 3.2 51.68 Favored Glycine 0 N--CA 1.425 -2.094 0 CA-C-N 113.472 -1.695 . . . . 0.0 109.072 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.461 ' HA ' ' O ' ' A' ' 61' ' ' GLU . 9.9 p -160.99 157.16 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.898 0 CA-C-N 115.067 -0.566 . . . . 0.0 110.993 -172.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 19' ' ' LEU . 67.1 mt -152.1 132.02 13.35 Favored 'General case' 0 C--N 1.309 -1.174 0 C-N-CA 124.632 1.173 . . . . 0.0 108.461 174.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.546 HG22 HG13 ' A' ' 63' ' ' ILE . 22.5 p -72.16 141.88 49.1 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 118.429 0.559 . . . . 0.0 110.735 173.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -53.15 -33.35 52.12 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 122.788 0.435 . . . . 0.0 111.563 177.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -70.24 -41.08 74.0 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.975 -0.557 . . . . 0.0 112.356 -177.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.438 ' HG2' ' O ' ' A' ' 30' ' ' THR . 14.8 pt-20 -74.99 -25.58 58.94 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.798 0.808 . . . . 0.0 109.525 -175.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.445 HD11 HD12 ' A' ' 62' ' ' LEU . 73.4 mt -69.68 -40.78 79.72 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.584 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.124 176.213 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.5 -35.25 77.24 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 123.725 0.81 . . . . 0.0 110.298 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -56.77 -51.48 68.74 Favored 'General case' 0 CA--C 1.503 -0.831 0 C-N-CA 124.87 1.268 . . . . 0.0 112.034 -175.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -70.44 -29.39 65.96 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.731 -178.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 mmt -82.54 -5.0 58.5 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 113.23 0.826 . . . . 0.0 113.23 -174.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.2 p -78.73 -2.08 37.65 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.575 178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -72.08 -26.2 62.07 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 171.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.547 ' HB2' HG12 ' A' ' 43' ' ' ILE . 12.4 m-85 -112.52 -170.39 1.66 Allowed 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -114.48 75.98 0.96 Allowed 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 175.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.547 HG12 ' HB2' ' A' ' 41' ' ' PHE . 29.4 mm -105.67 113.47 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.6 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.196 -177.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -79.58 164.84 23.52 Favored 'General case' 0 C--N 1.265 -3.069 0 CA-C-N 114.218 -1.356 . . . . 0.0 110.925 178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.2 p -58.87 -32.02 69.09 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 124.043 0.937 . . . . 0.0 109.982 179.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -55.54 -49.61 72.19 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 125.256 1.422 . . . . 0.0 109.854 177.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -77.45 -37.75 50.86 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.057 -177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.482 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 0.4 OUTLIER -56.14 -41.38 75.27 Favored 'General case' 0 C--O 1.209 -1.065 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.355 177.341 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.426 ' HA ' ' CD1' ' A' ' 52' ' ' TYR . 19.4 t70 -58.64 -38.41 78.01 Favored 'General case' 0 C--O 1.245 0.857 0 C-N-CA 124.442 1.097 . . . . 0.0 110.945 178.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -66.3 -39.4 89.32 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.39 -0.823 . . . . 0.0 108.893 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.44 ' CE2' HD11 ' A' ' 55' ' ' LEU . 25.2 t80 -70.2 -34.34 72.81 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.755 177.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 49' ' ' ASP . 22.8 m-85 -62.19 -38.99 91.21 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.196 0.522 . . . . 0.0 110.946 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -63.01 -47.85 81.34 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.407 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.446 ' O ' ' HG2' ' A' ' 58' ' ' GLN . 49.9 t80 -54.27 -52.8 60.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.956 178.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.453 ' HB3' ' HB ' ' A' ' 60' ' ' VAL . 84.5 mt -58.02 -43.39 86.69 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.371 179.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -60.65 -39.66 96.87 Favored Glycine 0 CA--C 1.51 -0.278 0 CA-C-N 114.089 -1.414 . . . . 0.0 111.236 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -66.72 -33.67 76.15 Favored 'General case' 0 N--CA 1.434 -1.258 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 178.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 54' ' ' PHE . 76.6 mm-40 -80.54 -46.88 15.05 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.598 -0.273 . . . . 0.0 111.01 -178.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.9 47.1 0.04 OUTLIER Glycine 0 C--N 1.308 -1.015 0 C-N-CA 119.96 -1.114 . . . . 0.0 112.766 176.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.453 ' HB ' ' HB3' ' A' ' 55' ' ' LEU . 25.7 t -136.87 124.03 31.1 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.175 0 N-CA-C 108.321 -0.992 . . . . 0.0 108.321 -179.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' O ' ' HA ' ' A' ' 28' ' ' VAL . 42.5 mt-10 -91.31 131.15 37.0 Favored 'General case' 0 C--N 1.298 -1.647 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 174.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 34' ' ' ILE . 0.7 OUTLIER -94.19 109.11 20.92 Favored 'General case' 0 C--N 1.302 -1.473 0 C-N-CA 119.527 -0.869 . . . . 0.0 110.215 -178.915 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.546 HG13 HG22 ' A' ' 30' ' ' THR . 23.2 pt -88.86 162.08 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.529 0 CA-C-O 122.918 1.342 . . . . 0.0 114.075 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 13.0 m -91.13 6.33 45.45 Favored 'General case' 0 N--CA 1.39 -3.437 0 CA-C-N 112.157 -2.292 . . . . 0.0 115.018 -177.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 67' ' ' GLU . 1.7 tm-20 72.18 -42.08 0.52 Allowed 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -77.25 15.67 0.7 Allowed 'General case' 0 CA--C 1.553 1.081 0 CA-C-O 122.548 1.166 . . . . 0.0 109.732 177.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' A' ' 65' ' ' GLU . 13.0 pt-20 -146.96 173.54 12.34 Favored 'General case' 0 N--CA 1.42 -1.935 0 N-CA-C 106.079 -1.823 . . . . 0.0 106.079 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.425 ' HG2' ' HG3' ' A' ' 67' ' ' GLU . 20.2 mm-40 58.1 -174.85 0.08 Allowed 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 125.078 1.351 . . . . 0.0 114.146 176.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 10.2 t -142.71 84.26 1.84 Allowed 'General case' 0 N--CA 1.414 -2.261 0 CA-C-O 122.873 1.321 . . . . 0.0 110.069 176.429 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.607 ' HB2' ' NH2' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -94.3 5.37 51.97 Favored 'General case' 0 C--N 1.31 -1.149 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.668 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -80.8 -29.01 36.11 Favored 'General case' 0 C--N 1.311 -1.071 0 CA-C-N 114.365 -1.289 . . . . 0.0 111.608 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.6 mt -72.25 -16.25 61.93 Favored 'General case' 0 C--N 1.277 -2.572 0 CA-C-N 114.033 -1.44 . . . . 0.0 113.798 -173.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -89.24 -7.28 55.81 Favored 'General case' 0 C--O 1.241 0.644 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 49.0 m80 75.18 138.95 0.06 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.473 1.509 . . . . 0.0 113.129 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -80.78 -42.8 21.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.951 -1.022 . . . . 0.0 108.6 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 39.2 m80 . . . . . 0 C--N 1.308 -1.223 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 176.786 . . . . . . . . 0 0 . 1 stop_ save_