data_2kz0_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 2kz0 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 108.88 -0.785 . . . . 72.04 108.88 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 59.07 28.18 17.37 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.416 0.627 . . . . 72.35 109.749 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -38.99 83.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.027 -0.988 . . . . 75.12 111.648 -176.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -65.48 -35.21 80.2 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.126 -0.23 . . . . 65.43 110.57 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.41 -48.81 66.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.367 . . . . 71.13 110.227 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.509 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -59.06 -54.35 48.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.607 -0.724 . . . . 75.31 109.627 178.037 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.08 -43.2 99.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.331 -0.849 . . . . 73.45 111.979 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.83 -50.83 71.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.625 0.25 . . . . 72.01 111.173 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.406 HD11 HD13 ' A' ' 38' ' ' ILE . 56.5 mt -72.29 -35.5 52.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.427 -0.351 . . . . 75.31 110.711 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -63.86 -38.15 90.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.021 0.438 . . . . 75.13 110.812 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -83.6 -32.65 25.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.435 . . . . 71.44 111.329 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.91 -47.18 66.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 63.32 110.316 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -124.9 101.88 32.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.546 -0.538 . . . . 74.13 109.546 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -62.09 -26.27 78.04 Favored 'Trans proline' 0 CA--C 1.526 0.08 0 C-N-CA 122.791 2.327 . . . . 74.32 112.321 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -96.57 15.98 20.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 73.54 110.951 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.63 131.81 46.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.379 . . . . 74.4 111.09 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.583 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 10.1 tp10 -97.96 114.87 27.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.762 -0.653 . . . . 74.04 109.491 175.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.509 HG21 ' HA ' ' A' ' 12' ' ' GLU . 3.4 mp -88.29 111.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.058 0.456 . . . . 75.31 109.889 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 32.1 m -110.34 124.18 51.21 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.748 -0.464 . . . . 61.44 109.748 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 m -83.12 120.74 34.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.162 0.505 . . . . 74.44 110.268 177.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.564 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 19.2 m -93.46 105.18 17.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.252 0.548 . . . . 63.14 109.733 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.9 p -108.57 117.9 35.39 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.596 -0.729 . . . . 64.04 110.976 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.15 135.94 44.74 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.435 -0.95 . . . . 71.35 108.435 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.28 87.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.219 0.533 . . . . 73.4 110.688 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.68 118.25 0.9 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.19 -0.914 . . . . 63.24 111.262 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.9 76.21 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.265 0.555 . . . . 71.24 111.441 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.55 -43.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.296 -0.865 . . . . 73.15 109.412 175.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -89.6 157.51 18.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.371 -0.832 . . . . 61.41 110.757 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -75.31 154.86 37.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 63.31 109.967 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -103.76 134.95 46.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.272 -0.422 . . . . 71.31 110.237 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.564 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 12.7 m -91.66 165.5 13.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.84 -0.618 . . . . 63.0 110.714 -172.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.406 HD13 HD11 ' A' ' 15' ' ' ILE . 17.5 tt -118.23 126.73 75.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.623 -0.51 . . . . 73.4 109.623 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 76.5 tttt -108.45 116.99 33.01 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.957 -0.565 . . . . 73.43 110.149 -175.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.08 104.98 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.092 -0.503 . . . . 63.22 110.737 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.583 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 45.0 mm -98.25 96.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.487 -0.56 . . . . 73.31 109.487 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.4 t -140.08 134.74 31.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.114 0.483 . . . . 71.22 111.06 -176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 p -63.07 -18.71 63.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.546 -0.752 . . . . 73.12 111.408 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.38 -23.08 67.16 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.849 0.357 . . . . 53.44 110.727 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -101.35 -4.14 27.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 70.44 111.099 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -84.81 136.57 33.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.07 0.462 . . . . 75.13 110.521 -174.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.09 -28.18 15.81 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.8 -0.92 . . . . 61.23 110.8 -174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.788 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.2 mmpt? -72.55 139.35 47.46 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.466 -0.367 . . . . 74.22 110.507 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.9 m -74.9 166.7 23.21 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.442 -0.577 . . . . 74.4 109.442 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -56.59 -35.37 68.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.944 -0.302 . . . . 71.43 111.379 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.526 ' H ' HD23 ' A' ' 51' ' ' LEU . 2.3 mm? -64.25 -45.17 89.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 63.51 109.989 -178.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.67 -45.61 93.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.61 -0.723 . . . . 71.2 110.098 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.533 ' O ' HG13 ' A' ' 57' ' ' ILE . 89.0 mt-30 -61.69 -43.5 98.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 70.33 110.849 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -58.8 -46.43 87.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.666 0.27 . . . . 75.33 110.385 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -60.34 -41.53 93.8 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.341 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 93.3 mmm -66.61 -34.49 78.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 120.709 -0.397 . . . . 75.15 110.359 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 53' ' ' GLN . 73.7 mt -62.42 -42.62 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.594 -0.521 . . . . 62.1 109.594 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -61.68 -31.79 71.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.064 -0.517 . . . . 75.23 111.062 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.742 ' HZ2' ' HB3' ' A' ' 59' ' ' LYS . 3.6 mmmp? -65.47 -57.16 8.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.76 0.314 . . . . 73.42 110.871 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.432 HG12 ' CD2' ' A' ' 61' ' ' LEU . 6.6 p -69.9 -38.68 76.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 116.412 -0.358 . . . . 74.32 111.649 -175.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.432 ' CD2' HG12 ' A' ' 60' ' ' VAL . 3.8 mm? -101.65 37.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.593 0.235 . . . . 70.44 110.97 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.46 -14.17 38.18 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.306 0.484 . . . . 64.21 112.306 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.92 -16.29 76.45 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.942 -0.647 . . . . 43.43 112.792 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -137.19 147.45 45.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 64.45 110.509 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.0 m120 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.142 0.496 . . . . 65.22 110.029 175.387 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 C--O 1.234 0.274 0 CA-C-O 121.167 0.508 . . . . 52.42 110.71 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -129.67 -41.53 1.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.675 -0.693 . . . . 62.22 109.792 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 tt -113.44 121.51 65.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.511 -0.768 . . . . 73.11 110.274 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 68.8 mt-30 -111.55 125.73 54.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 75.12 110.295 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 m -100.06 162.58 12.89 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.837 -0.62 . . . . 71.51 110.204 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 121.055 -0.593 . . . . 44.31 112.436 177.453 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.504 0.192 . . . . 72.04 111.446 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.418 ' HA ' HE22 ' A' ' 10' ' ' GLN . 95.0 mt-30 67.3 23.17 9.38 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.764 -0.653 . . . . 72.35 111.932 174.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -66.1 -32.2 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.99 0.424 . . . . 75.12 110.281 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.418 HE22 ' HA ' ' A' ' 8' ' ' GLN . 5.4 pm0 -72.5 -27.22 62.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.129 -0.487 . . . . 65.43 110.007 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -71.67 -46.19 59.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.967 -0.753 . . . . 71.13 108.967 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.408 ' OE2' ' HD3' ' A' ' 16' ' ' ARG . 3.1 tm-20 -57.9 -53.77 54.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.448 -0.796 . . . . 75.31 109.356 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.85 -40.86 76.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.509 -0.769 . . . . 73.45 111.221 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.1 tp -56.86 -50.9 71.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.612 -0.267 . . . . 72.01 110.823 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.704 HG22 HG12 ' A' ' 24' ' ' ILE . 42.6 mm -70.95 -37.88 69.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.871 0.367 . . . . 75.31 110.336 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.522 ' HD2' HD11 ' A' ' 24' ' ' ILE . 1.2 tpt180 -64.53 -35.55 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 75.13 111.057 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.423 ' N ' HD21 ' A' ' 17' ' ' ASN . 0.9 OUTLIER -83.79 -33.62 24.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.01 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -43.02 71.94 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.374 -0.376 . . . . 63.32 110.548 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -127.81 80.45 72.01 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 74.13 110.339 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.41 -10.86 19.03 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.359 2.039 . . . . 74.32 111.86 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -99.63 30.49 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.603 -0.726 . . . . 73.54 109.508 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 42' ' ' SER . . . -137.61 155.96 48.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.757 -0.656 . . . . 74.4 111.145 -177.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 1.1 mm-40 -94.5 99.01 11.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.885 -0.598 . . . . 74.04 109.741 172.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.704 HG12 HG22 ' A' ' 15' ' ' ILE . 3.5 mp -88.15 117.45 31.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.752 -0.658 . . . . 75.31 110.424 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 24.9 m -117.73 121.54 41.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 61.44 109.956 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.9 107.6 21.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.392 . . . . 74.44 110.419 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 m -101.83 138.36 38.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.053 -0.522 . . . . 63.14 110.652 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -93.83 123.47 37.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.284 -0.265 . . . . 64.04 110.284 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 8.7 mp -113.18 116.38 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.955 0.407 . . . . 71.35 111.051 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -101.13 97.4 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.351 0.596 . . . . 73.4 110.409 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.44 -148.04 4.99 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.736 -0.745 . . . . 63.24 111.794 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.18 -51.92 67.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.963 0.411 . . . . 71.24 110.767 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -117.35 131.1 56.85 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.967 -0.753 . . . . 73.15 108.967 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -83.22 97.83 9.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.603 0.716 . . . . 61.41 111.123 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 4.1 m-70 -127.58 155.45 43.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.261 -0.881 . . . . 63.31 109.564 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -103.87 140.63 37.4 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.534 -0.543 . . . . 71.31 109.534 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.708 ' HA ' ' HG3' ' A' ' 70' ' ' GLN . 16.8 t -89.26 124.01 34.0 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.937 -0.394 . . . . 63.0 109.937 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.71 99.58 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.109 -0.7 . . . . 73.4 109.109 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 51.9 mtpt -95.46 111.83 23.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.052 -0.522 . . . . 73.43 109.642 -178.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.1 t -113.56 104.31 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.99 -0.55 . . . . 63.22 110.176 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 40.4 mm -95.84 111.55 26.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.02 -0.536 . . . . 73.31 110.304 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.464 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . 32.5 t -158.56 142.57 15.52 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.383 -0.371 . . . . 71.22 110.757 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.475 ' HA ' ' HB3' ' A' ' 46' ' ' GLN . 49.6 m -68.81 -5.84 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 73.12 111.37 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -75.79 -18.16 59.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 53.44 110.296 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -104.9 -10.63 17.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.616 0.722 . . . . 70.44 109.579 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.475 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 62.6 tt0 -83.62 124.36 30.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.087 -0.96 . . . . 75.13 109.785 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.98 -23.49 35.81 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.653 -0.784 . . . . 61.23 111.439 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -76.4 144.79 39.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.093 -0.336 . . . . 74.22 110.093 175.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 t -70.12 155.92 39.93 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.872 -0.418 . . . . 74.4 109.872 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -52.56 -47.09 67.01 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.45 -0.341 . . . . 71.43 111.176 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.58 -43.27 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.184 -0.462 . . . . 63.51 110.537 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.09 -50.21 73.48 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.97 0.414 . . . . 71.2 110.479 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 57' ' ' ILE . 73.3 mt-30 -57.61 -47.65 81.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.389 -0.823 . . . . 70.33 110.705 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.401 ' HA ' HD13 ' A' ' 57' ' ' ILE . 29.7 m170 -65.8 -37.73 87.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 75.33 110.791 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -58.58 -49.39 77.64 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.332 -0.395 . . . . 74.14 110.567 174.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 75.2 mtm -61.49 -42.27 98.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 75.15 111.018 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.713 HD12 HG21 ' A' ' 71' ' ' ILE . 37.4 mt -62.52 -46.38 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.198 0.523 . . . . 62.1 110.216 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -63.19 -31.88 73.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 75.23 111.099 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -81.04 -43.27 19.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.533 -0.303 . . . . 73.42 111.711 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.417 HG11 ' HA ' ' A' ' 57' ' ' ILE . 9.8 p -70.43 -32.97 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.973 0.416 . . . . 74.32 110.909 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -86.83 -16.68 35.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.369 . . . . 70.44 110.511 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.97 22.9 13.07 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.724 -0.671 . . . . 64.21 111.751 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.59 -128.31 3.45 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.958 -0.639 . . . . 43.43 111.724 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp 66.94 11.07 8.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.988 0.515 . . . . 64.45 111.238 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--N 1.322 -0.618 0 CA-C-O 120.965 0.412 . . . . 65.22 110.387 179.247 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.555 ' HB ' HG23 ' A' ' 71' ' ' ILE . 31.7 mt . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.764 0.316 . . . . 52.42 110.199 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.708 ' HG3' ' HA ' ' A' ' 37' ' ' SER . 5.8 tp-100 70.18 27.6 4.16 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.939 0.876 . . . . 62.22 109.987 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.713 HG21 HD12 ' A' ' 57' ' ' ILE . 17.1 tt -98.64 132.27 44.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.123 -0.944 . . . . 73.11 110.328 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -110.86 108.54 18.38 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.11 -0.7 . . . . 75.12 109.11 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.413 HG23 HG12 ' A' ' 71' ' ' ILE . 3.3 p -106.67 120.13 41.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.189 0.519 . . . . 71.51 111.935 -176.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 C-N-CA 120.841 -0.695 . . . . 44.31 112.906 176.088 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.474 ' HB ' HG12 ' A' ' 26' ' ' VAL . 10.4 t . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.405 -0.591 . . . . 72.04 109.405 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -61.57 124.73 21.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.056 0.455 . . . . 72.35 110.095 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 p -52.01 -43.22 63.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.062 -0.972 . . . . 75.12 111.886 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.47 -46.69 81.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 65.43 111.5 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.33 -46.35 89.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 71.13 110.824 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.01 -54.05 46.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.817 -0.629 . . . . 75.31 110.156 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -42.91 82.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.592 -0.731 . . . . 73.45 111.135 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.72 -50.81 69.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.092 -0.504 . . . . 72.01 110.726 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.1 mm -66.84 -39.05 82.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.138 -0.483 . . . . 75.31 111.0 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -67.39 -39.27 85.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.642 -0.254 . . . . 75.13 111.481 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -78.85 -39.19 36.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.676 -0.238 . . . . 71.44 111.47 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.04 -37.69 69.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 63.32 110.779 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.4 84.31 63.59 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 74.13 110.823 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.09 -19.79 44.81 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.393 2.062 . . . . 74.32 111.176 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -93.38 12.19 25.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.197 -0.91 . . . . 73.54 110.678 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.85 148.38 32.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 74.4 111.24 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 8.7 tp10 -97.03 114.82 26.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.654 -0.703 . . . . 74.04 109.748 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.7 mt -93.48 110.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.801 0.334 . . . . 75.31 110.119 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.515 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 8.7 m -104.0 120.72 41.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.288 -0.414 . . . . 61.44 109.948 176.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.474 HG12 ' HB ' ' A' ' 7' ' ' THR . 59.7 t -82.98 115.67 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.047 0.451 . . . . 74.44 110.223 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.647 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 21.5 m -107.9 120.02 41.1 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.859 -0.61 . . . . 63.14 110.223 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -78.24 103.76 8.39 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.427 -0.806 . . . . 64.04 109.863 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.0 tp -66.27 111.43 3.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.32 -0.854 . . . . 71.35 110.231 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.92 129.33 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.856 -0.611 . . . . 73.4 110.483 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.64 -11.66 4.29 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.865 -0.894 . . . . 63.24 110.865 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 61.57 90.15 0.07 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.289 0.636 . . . . 71.24 111.163 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -159.62 150.68 19.59 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.826 -0.805 . . . . 73.15 108.826 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -64.3 -16.76 62.77 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.352 0.596 . . . . 61.41 110.538 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -85.1 103.18 13.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.493 -0.558 . . . . 63.31 109.493 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -109.78 174.33 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.578 -0.283 . . . . 71.31 110.429 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.647 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 19.9 m -103.33 120.97 41.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.966 0.412 . . . . 63.0 110.959 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 70' ' ' GLN . 26.7 pt -101.18 117.59 46.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.254 0.549 . . . . 73.4 110.289 173.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.515 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 53.4 mtmt -89.37 108.73 19.8 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.713 -0.477 . . . . 73.43 109.713 176.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -95.24 104.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.216 -0.902 . . . . 63.22 109.96 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.589 HG12 ' HA3' ' A' ' 74' ' ' GLY . 42.4 mt -102.8 136.0 37.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.949 -0.569 . . . . 73.31 110.185 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.5 t -162.29 147.67 12.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.827 -0.624 . . . . 71.22 110.301 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 p -63.14 -19.03 64.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.852 -0.613 . . . . 73.12 110.992 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.79 -16.77 62.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.334 -0.394 . . . . 53.44 110.968 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -96.79 7.0 47.59 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.095 0.474 . . . . 70.44 110.423 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -85.26 131.94 34.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.999 -0.546 . . . . 75.13 109.837 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.54 -2.77 76.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.976 -0.63 . . . . 61.23 112.793 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -90.79 152.83 20.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.866 0.365 . . . . 74.22 110.547 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 p -82.58 144.49 30.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.852 -0.613 . . . . 74.4 110.567 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -58.09 -34.49 70.21 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.265 -0.425 . . . . 71.43 111.632 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.3 mt -55.36 -53.84 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.51 110.792 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.06 -44.08 78.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.664 -0.698 . . . . 71.2 111.396 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.479 ' O ' HG13 ' A' ' 57' ' ' ILE . 70.4 mt-30 -61.54 -47.25 86.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 70.33 111.069 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -64.17 -40.19 95.6 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.992 -0.373 . . . . 75.33 109.992 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -56.83 -48.33 78.29 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.978 -0.555 . . . . 74.14 110.941 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 90.5 mtp -62.13 -38.52 89.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.679 -0.691 . . . . 75.15 110.249 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 53' ' ' GLN . 67.6 mt -58.96 -52.3 62.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 62.1 110.912 176.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -58.8 -38.39 78.48 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.081 0.467 . . . . 75.23 110.622 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 59' ' ' LYS . 36.6 ttpt -64.21 -49.26 72.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.706 -0.679 . . . . 73.42 111.487 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.4 t -81.97 -43.19 19.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.449 -0.341 . . . . 74.32 111.875 -174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 4.2 mm? -79.9 -23.8 41.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.73 0.271 . . . . 70.44 111.73 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 61' ' ' LEU . 6.8 t70 75.38 -47.56 0.6 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.371 0.668 . . . . 64.21 112.053 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.98 95.88 0.5 Allowed Glycine 0 C--N 1.311 -0.828 0 CA-C-N 115.356 -0.838 . . . . 43.43 112.403 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 pp -86.47 12.99 9.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.201 0.524 . . . . 64.45 111.03 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 65.22 109.456 176.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.2 mm . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.872 0.367 . . . . 52.42 110.061 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.412 ' O ' HG12 ' A' ' 38' ' ' ILE . 27.3 mt-30 -82.24 -30.63 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.075 -0.511 . . . . 62.22 111.332 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.8 tt -137.13 132.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.116 0.484 . . . . 73.11 111.17 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.515 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 51.1 tt0 -126.11 125.05 41.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.575 -0.739 . . . . 75.12 109.435 176.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -88.44 134.92 33.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.825 0.345 . . . . 71.51 111.585 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.589 ' HA3' HG12 ' A' ' 41' ' ' ILE . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.765 -0.731 . . . . 44.31 111.618 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 110.299 -0.26 . . . . 72.04 110.299 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 63.84 24.58 13.79 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.312 0.383 . . . . 72.35 111.762 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 m -60.74 -32.3 71.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.408 -0.36 . . . . 75.12 111.079 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -66.7 -32.98 74.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 65.43 110.363 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.33 -44.22 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.103 -0.703 . . . . 71.13 109.103 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -54.38 -51.66 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.588 -0.733 . . . . 75.31 110.275 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.5 -40.12 90.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 73.45 111.331 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.99 -46.4 89.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 72.01 110.852 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.429 ' HB ' HD13 ' A' ' 24' ' ' ILE . 61.3 mt -66.15 -35.75 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.549 -0.296 . . . . 75.31 110.626 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HG2' ' CD1' ' A' ' 24' ' ' ILE . 12.0 mmm180 -68.17 -29.27 68.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.607 0.241 . . . . 75.13 111.558 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -74.73 -41.82 59.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.737 0.304 . . . . 71.44 110.569 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.29 -53.28 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.466 . . . . 63.32 110.986 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -118.86 90.62 41.09 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.029 -0.532 . . . . 74.13 109.716 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.31 -1.03 11.01 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.937 2.425 . . . . 74.32 113.087 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -117.73 13.3 14.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.104 0.478 . . . . 73.54 110.412 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 42' ' ' SER . . . -97.24 133.43 41.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.904 -0.589 . . . . 74.4 111.575 -176.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 42.4 mt-10 -85.53 111.9 20.44 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.084 -0.71 . . . . 74.04 109.084 172.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.429 HD13 ' HB ' ' A' ' 15' ' ' ILE . 22.6 mt -91.55 129.87 41.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.946 -0.57 . . . . 75.31 110.254 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.525 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 33.9 m -135.37 105.32 6.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.0 0.429 . . . . 61.44 110.132 172.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.81 119.47 36.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.565 0.697 . . . . 74.44 110.018 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.906 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 21.0 m -95.87 105.47 17.49 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.501 -0.772 . . . . 63.14 110.319 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -83.46 106.03 14.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.892 -0.595 . . . . 64.04 110.556 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.39 107.89 3.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.484 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -67.06 140.42 19.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 73.4 110.216 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.62 -58.25 0.41 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.395 -0.682 . . . . 63.24 111.395 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -148.03 117.39 6.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.958 0.408 . . . . 71.24 109.936 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.0 36.01 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.919 -0.582 . . . . 73.15 111.672 -172.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -68.01 -16.61 64.12 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.026 0.441 . . . . 61.41 110.577 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -149.57 142.81 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 63.31 110.679 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -120.61 127.18 51.87 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.69 -0.856 . . . . 71.31 108.69 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.906 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 20.7 m -76.48 118.44 19.15 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.224 -0.59 . . . . 63.0 109.681 -178.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -99.95 100.03 9.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.943 0.401 . . . . 73.4 110.064 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.525 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 87.9 tttt -92.62 110.86 22.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.673 . . . . 73.43 110.099 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -111.18 105.87 19.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.004 -0.544 . . . . 63.22 110.448 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 50.3 mm -101.71 105.31 17.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.165 -0.471 . . . . 73.31 109.888 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.416 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . 45.5 t -144.02 147.63 34.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.412 -0.358 . . . . 71.22 110.804 -177.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 m -65.23 -15.86 62.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.324 0.583 . . . . 73.12 110.19 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.84 -4.84 37.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.733 . . . . 53.44 110.774 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -116.53 9.28 14.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 70.44 110.335 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -117.15 136.67 52.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.535 . . . . 75.13 110.172 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.21 -2.29 37.03 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.023 -0.608 . . . . 61.23 112.504 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.76 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.6 mmpt? -78.34 -178.87 5.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.129 0.49 . . . . 74.22 111.143 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 m -104.49 144.33 31.81 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.509 -0.552 . . . . 74.4 109.509 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -52.32 -38.61 58.99 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.354 0.409 . . . . 71.43 111.821 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.14 -49.37 71.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.406 -0.361 . . . . 63.51 110.742 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -57.78 -45.53 85.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.59 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -61.56 -47.39 85.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.742 -0.663 . . . . 70.33 111.148 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -59.56 -46.41 88.99 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.879 -0.415 . . . . 75.33 109.879 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -57.19 -50.03 74.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.779 -0.646 . . . . 74.14 111.49 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 73.1 mtm -62.81 -49.49 74.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 75.15 111.321 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.558 HG22 HD12 ' A' ' 71' ' ' ILE . 60.2 mt -64.46 -39.09 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.065 0.459 . . . . 62.1 110.355 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -65.29 -31.91 73.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 75.23 110.517 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 46.6 tptt -78.67 -39.54 36.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.31 -0.405 . . . . 73.42 111.266 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 ' HA ' ' A' ' 57' ' ' ILE . 32.3 m -73.92 -27.75 22.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.429 -0.508 . . . . 74.32 110.644 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 61' ' ' LEU . 3.8 mm? -90.74 27.32 1.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 70.44 110.546 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.84 -34.57 76.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 64.21 110.983 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.33 50.74 1.43 Allowed Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.423 -0.808 . . . . 43.43 111.672 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.2 152.36 41.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.05 0.452 . . . . 64.45 110.979 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.875 -0.602 . . . . 65.22 109.57 179.787 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.1 pt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.887 0.375 . . . . 52.42 110.281 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -145.78 28.69 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 62.22 111.791 -172.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.558 HD12 HG22 ' A' ' 57' ' ' ILE . 17.5 tt -101.56 127.21 55.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.182 0.515 . . . . 73.11 111.153 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 39' ' ' LYS . 93.3 mt-30 -120.11 117.5 28.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.944 -0.571 . . . . 75.12 109.875 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.0 p -119.48 148.2 43.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.822 0.344 . . . . 71.51 111.299 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.828 -0.701 . . . . 44.31 111.498 176.491 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.916 -0.402 . . . . 72.04 109.916 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.09 66.16 5.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.762 -0.458 . . . . 72.35 109.762 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 m -52.52 -39.27 61.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.301 -0.409 . . . . 75.12 111.834 -173.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.88 -34.13 71.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 65.43 111.074 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -72.09 -48.45 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.605 -0.27 . . . . 71.13 110.386 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.54 -37.56 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 75.31 110.438 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.18 -45.78 93.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.419 -0.355 . . . . 73.45 110.058 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.92 -48.62 75.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 72.01 110.051 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.554 HD12 HD11 ' A' ' 38' ' ' ILE . 64.2 mt -61.64 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.036 -0.529 . . . . 75.31 110.713 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -64.61 -39.63 94.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 75.13 111.106 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.425 ' N ' HD21 ' A' ' 17' ' ' ASN . 0.9 OUTLIER -71.57 -29.92 65.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 71.44 110.347 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.33 -48.6 15.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 63.32 111.041 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -129.19 92.59 38.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.447 -0.342 . . . . 74.13 110.618 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.48 -13.82 30.46 Favored 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.464 2.109 . . . . 74.32 111.972 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -98.3 6.94 46.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.625 -0.716 . . . . 73.54 110.936 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.96 134.5 41.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.223 -0.444 . . . . 74.4 111.546 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.06 105.95 13.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.841 -0.618 . . . . 74.04 109.807 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.0 mt -88.61 115.56 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.712 -0.676 . . . . 75.31 110.184 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 16.0 m -120.35 105.31 10.78 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.056 0.455 . . . . 61.44 110.405 176.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.52 126.32 40.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.155 0.502 . . . . 74.44 110.19 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 m -120.34 118.09 29.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.05 -0.523 . . . . 63.14 110.264 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 p -94.46 100.8 12.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.044 -0.525 . . . . 64.04 110.372 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 3.2 mm? -78.51 86.45 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.112 0.482 . . . . 71.35 110.401 -178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.37 124.74 40.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.547 -0.752 . . . . 73.4 110.26 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.78 -99.53 0.17 Allowed Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.914 -0.875 . . . . 63.24 110.914 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.73 -67.15 0.87 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.121 -0.696 . . . . 71.24 109.121 173.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -100.13 115.44 29.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.784 -0.821 . . . . 73.15 108.784 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.82 109.88 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.19 0.519 . . . . 61.41 111.652 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.4 p80 -122.48 140.63 52.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.035 -0.728 . . . . 63.31 109.035 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -112.24 149.69 31.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.971 0.415 . . . . 71.31 110.867 -172.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -134.48 119.24 18.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.921 -0.581 . . . . 63.0 110.433 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.554 HD11 HD12 ' A' ' 15' ' ' ILE . 14.0 pt -99.55 109.74 25.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.288 0.566 . . . . 73.4 110.236 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.523 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 83.0 tttt -86.27 117.88 25.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.563 -0.744 . . . . 73.43 109.977 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.91 109.14 27.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.369 -0.378 . . . . 63.22 110.244 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.3 mt -102.42 129.2 54.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.792 -0.363 . . . . 73.31 110.286 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 t -158.22 146.47 18.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.013 -0.54 . . . . 71.22 110.24 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.606 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 17.8 m -64.12 -11.07 26.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 73.12 111.317 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -69.31 -27.29 65.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 53.44 110.54 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -88.72 -10.56 47.94 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.164 0.431 . . . . 70.44 112.164 -174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 43' ' ' SER . 3.2 pt20 -64.29 143.79 57.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.643 0.259 . . . . 75.13 110.311 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.41 -24.44 25.45 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.739 -0.743 . . . . 61.23 112.326 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -93.05 133.47 36.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.998 0.428 . . . . 74.22 110.239 -179.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.6 m -71.51 165.12 24.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.333 -0.849 . . . . 74.4 111.333 -174.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -55.33 -40.62 71.42 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.134 -0.484 . . . . 71.43 110.873 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' H ' HD21 ' A' ' 51' ' ' LEU . 3.3 mm? -55.14 -49.8 70.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.594 . . . . 63.51 110.174 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -63.73 -41.42 98.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.741 -0.663 . . . . 71.2 110.785 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.58 ' O ' HG13 ' A' ' 57' ' ' ILE . 67.2 mt-30 -56.69 -47.72 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 70.33 111.134 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.427 ' HA ' HD11 ' A' ' 57' ' ' ILE . 30.1 m80 -72.5 -36.44 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 75.33 110.096 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -60.55 -44.68 95.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 74.14 110.527 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 53' ' ' GLN . 73.0 mtm -61.82 -42.7 99.35 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.095 -0.502 . . . . 75.15 110.339 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.733 HG23 HG12 ' A' ' 71' ' ' ILE . 93.9 mt -55.0 -53.19 36.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.625 0.25 . . . . 62.1 110.752 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -62.15 -36.58 82.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 75.23 111.283 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -77.55 -36.47 52.2 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.092 0.405 . . . . 73.42 112.092 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.3 t -73.32 -41.6 57.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.688 0.28 . . . . 74.32 110.745 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' A' ' 70' ' ' GLN . 56.7 mt -69.03 -29.75 67.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.535 -0.302 . . . . 70.44 110.369 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 t70 58.5 76.65 0.33 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.403 -0.817 . . . . 64.21 110.681 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.15 -154.78 25.85 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 110.509 -1.036 . . . . 43.43 110.509 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -110.5 -80.41 0.58 Allowed 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 110.276 -0.268 . . . . 64.45 110.276 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.467 0.379 0 CA-C-N 115.94 -0.573 . . . . 65.22 110.896 -177.387 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.3 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.427 -0.583 . . . . 52.42 109.427 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.415 ' HB3' HD13 ' A' ' 61' ' ' LEU . 24.1 tp60 -65.9 -47.55 74.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.329 -0.396 . . . . 62.22 111.102 -175.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.733 HG12 HG23 ' A' ' 57' ' ' ILE . 9.5 pt -123.32 139.58 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.699 -0.482 . . . . 73.11 109.699 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 40.2 mt-30 -114.01 108.41 16.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.421 -0.585 . . . . 75.12 109.421 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -119.7 119.99 35.29 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.513 -0.312 . . . . 71.51 110.694 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 C-N-CA 120.87 -0.681 . . . . 44.31 112.709 177.824 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.777 -0.453 . . . . 72.04 109.777 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -95.22 128.33 41.97 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.127 -0.694 . . . . 72.35 109.127 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m -59.2 -48.59 81.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.395 -0.366 . . . . 75.12 111.281 -174.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.54 -44.84 89.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.58 0.229 . . . . 65.43 111.216 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.67 -48.08 80.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 71.13 110.708 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.11 -54.01 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 75.31 110.435 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.81 -39.18 73.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.013 -0.994 . . . . 73.45 111.066 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.93 -50.73 69.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.5 . . . . 72.01 110.766 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mt -71.99 -34.75 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.982 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -68.3 -35.7 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 75.13 110.811 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -78.19 -31.4 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 71.44 110.571 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.17 -45.99 68.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 63.32 110.706 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -126.96 89.05 53.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.064 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -63.5 -45.02 12.44 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.17 2.58 . . . . 74.32 113.401 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.76 27.35 2.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.222 0.534 . . . . 73.54 111.026 -178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.474 ' HB1' ' HG ' ' A' ' 42' ' ' SER . . . -121.42 146.71 46.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.791 -0.64 . . . . 74.4 110.011 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -100.19 120.08 39.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.356 0.598 . . . . 74.04 111.688 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 24' ' ' ILE . 4.1 mp -88.38 110.89 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.402 -0.817 . . . . 75.31 109.098 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.513 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 12.8 m -109.57 114.5 28.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.441 -0.345 . . . . 61.44 110.857 -177.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.7 t -82.56 112.07 19.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.516 -0.92 . . . . 74.44 108.516 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.8 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 29.5 m -93.43 106.35 18.33 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.555 -0.748 . . . . 63.14 111.018 -171.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.474 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 17.9 t -86.23 111.0 20.0 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.186 -0.915 . . . . 64.04 109.611 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 mt -87.48 -172.93 4.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.091 -0.707 . . . . 71.35 109.091 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.64 135.44 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.592 -0.892 . . . . 73.4 108.592 171.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.62 55.72 2.08 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.353 -0.451 . . . . 63.24 113.957 -172.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -114.21 -9.67 12.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.477 -0.564 . . . . 71.24 109.477 172.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -105.1 134.75 47.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.447 -0.797 . . . . 73.15 109.258 174.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -67.33 -39.41 85.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.283 0.563 . . . . 61.41 110.635 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -101.07 143.71 30.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.724 -0.671 . . . . 63.31 109.52 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 92.9 m-85 -103.33 172.42 6.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.095 -0.335 . . . . 71.31 110.095 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.8 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 53.4 m -89.61 149.91 22.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.15 0.5 . . . . 63.0 111.259 -173.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.3 pt -115.23 111.86 37.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.864 -0.607 . . . . 73.4 110.1 176.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 3.4 ttmp? -103.7 110.26 22.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.639 -0.504 . . . . 73.43 109.639 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 t -99.15 104.35 15.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.811 -0.631 . . . . 63.22 109.888 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.9 mm -86.81 99.1 7.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.273 0.559 . . . . 73.31 109.538 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.474 ' HG ' ' HB1' ' A' ' 22' ' ' ALA . 9.2 m -142.31 138.83 31.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.387 -0.824 . . . . 71.22 110.354 -177.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.6 m -66.73 -13.01 60.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.253 0.549 . . . . 73.12 110.401 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -72.67 -10.51 59.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.853 -0.612 . . . . 53.44 110.621 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.451 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 67.0 m-85 -113.59 13.63 18.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 70.44 111.045 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -121.73 116.44 24.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.813 0.339 . . . . 75.13 111.081 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.06 21.88 50.88 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.927 -0.654 . . . . 61.23 112.711 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.501 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -104.48 -171.26 1.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.021 -0.363 . . . . 74.22 110.021 -178.163 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.614 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 44.9 m -85.47 137.17 33.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.728 -0.215 . . . . 74.4 110.912 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -56.83 -48.81 77.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.494 -0.321 . . . . 71.43 111.504 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.09 -42.31 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.49 -0.323 . . . . 63.51 110.456 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 56' ' ' MET . 41.6 tt0 -58.12 -49.95 75.18 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.945 -0.57 . . . . 71.2 110.78 177.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 49' ' ' SER . 23.7 mm-40 -59.57 -47.34 85.92 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.982 -0.554 . . . . 70.33 110.904 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -65.55 -40.45 92.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.819 -0.628 . . . . 75.33 110.041 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -59.65 -45.21 92.7 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.335 -0.393 . . . . 74.14 110.779 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 97.0 mmm -57.75 -45.24 86.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.526 . . . . 75.15 110.374 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.434 HG12 HD13 ' A' ' 71' ' ' ILE . 72.1 mt -59.08 -49.96 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.845 -0.616 . . . . 62.1 111.105 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.604 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 36.9 m-85 -60.52 -31.47 70.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.687 -0.233 . . . . 75.23 111.383 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -69.95 -51.53 31.91 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.007 -0.277 . . . . 73.42 111.663 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.6 m -82.58 -29.09 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 112.726 0.639 . . . . 74.32 112.726 -172.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 31.9 tp -101.55 16.62 25.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.098 0.475 . . . . 70.44 111.102 -172.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.604 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 8.3 t0 -87.69 100.37 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 64.21 110.524 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -139.18 50.22 0.79 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.55 -1.02 . . . . 43.43 110.55 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.2 mt 63.44 71.63 0.5 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.65 0.738 . . . . 64.45 109.47 -170.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.3 t30 . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 114.99 -1.005 . . . . 65.22 109.986 -175.3 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 121.004 0.431 . . . . 52.42 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -100.89 16.63 24.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 62.22 110.352 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.434 HD13 HG12 ' A' ' 57' ' ' ILE . 19.4 tt -109.76 139.59 32.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.991 -0.549 . . . . 73.11 110.687 -177.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -118.3 108.67 15.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.234 -0.654 . . . . 75.12 109.234 172.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.42 HG21 HG12 ' A' ' 71' ' ' ILE . 6.2 p -118.79 127.02 53.14 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.464 -0.334 . . . . 71.51 111.475 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 C-N-CA 120.916 -0.659 . . . . 44.31 111.813 178.467 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.9 p . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.889 -0.411 . . . . 72.04 109.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.57 ' HB3' HD11 ' A' ' 11' ' ' LEU . 38.7 mt-30 -79.58 72.86 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.283 -1.006 . . . . 72.35 108.283 172.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -63.09 -41.45 99.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.125 -0.943 . . . . 75.12 111.867 -168.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -61.32 -43.1 99.44 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.706 -0.397 . . . . 65.43 109.964 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 8' ' ' GLN . 6.7 mp -66.96 -46.09 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.921 -0.582 . . . . 71.13 110.476 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HG3' HG23 ' A' ' 24' ' ' ILE . 41.3 tt0 -60.18 -54.35 46.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.825 -0.625 . . . . 75.31 110.839 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.43 -38.59 81.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.756 . . . . 73.45 110.748 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.64 -50.74 68.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 72.01 110.689 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.87 -40.04 80.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.232 -0.44 . . . . 75.31 111.23 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -68.52 -34.36 75.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.608 -0.269 . . . . 75.13 111.27 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -78.9 -40.13 33.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.896 -0.322 . . . . 71.44 110.832 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.26 80.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.429 -0.351 . . . . 63.32 110.72 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -124.97 92.07 48.27 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.364 -0.38 . . . . 74.13 110.38 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.58 -9.68 26.78 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.613 2.208 . . . . 74.32 111.602 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -93.12 3.91 54.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.119 -0.946 . . . . 73.54 110.201 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -115.82 129.55 56.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.934 0.397 . . . . 74.4 111.652 -175.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.634 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 27.8 mm-40 -82.44 129.18 34.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.639 -0.709 . . . . 74.04 109.682 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.425 HG23 ' HG3' ' A' ' 12' ' ' GLU . 5.7 mm -87.28 110.51 20.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.188 -0.671 . . . . 75.31 109.188 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 14.0 m -109.51 110.27 21.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.993 -0.549 . . . . 61.44 109.854 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 m -89.36 115.15 28.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.565 0.697 . . . . 74.44 111.098 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.902 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 23.8 m -94.06 105.51 17.51 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.762 -0.654 . . . . 63.14 109.646 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -93.75 115.33 27.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.888 -0.597 . . . . 64.04 111.0 -176.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.39 98.86 11.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.252 -0.647 . . . . 71.35 109.252 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.4 t -75.19 122.93 29.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 73.4 110.354 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.76 -65.42 0.31 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.132 -0.787 . . . . 63.24 111.132 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -131.57 134.99 46.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.791 0.329 . . . . 71.24 110.342 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -76.8 69.41 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.684 -0.689 . . . . 73.15 110.538 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -94.95 -77.31 0.47 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.955 -0.566 . . . . 61.41 110.112 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -146.76 145.35 29.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.517 -0.549 . . . . 63.31 109.517 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -113.72 145.76 40.88 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.623 -0.51 . . . . 71.31 109.623 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.902 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 11.1 t -86.4 131.26 34.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.237 -0.438 . . . . 63.0 111.283 -170.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.0 mm -100.48 102.66 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.671 -0.492 . . . . 73.4 109.671 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.654 ' HZ2' ' HB2' ' A' ' 39' ' ' LYS . 4.6 ttmp? -94.88 114.06 25.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.236 0.541 . . . . 73.43 109.778 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.412 HG12 ' HB2' ' A' ' 22' ' ' ALA . 77.8 t -91.15 114.37 28.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.417 -0.811 . . . . 63.22 110.479 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.634 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 50.3 mm -101.61 104.89 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.329 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -150.58 131.32 14.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.207 -0.451 . . . . 71.22 109.989 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.1 m -67.83 -4.64 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.983 -0.553 . . . . 73.12 112.369 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -84.87 -6.26 59.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.408 . . . . 53.44 110.438 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -94.92 -10.64 30.5 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.152 0.501 . . . . 70.44 110.005 172.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -73.92 123.77 24.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.669 . . . . 75.13 110.291 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.21 -2.83 59.69 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.669 -0.776 . . . . 61.23 111.852 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HB3' ' HG3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -81.4 174.85 11.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.139 -0.319 . . . . 74.22 110.139 177.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.9 m -128.3 162.27 27.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.008 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -45.84 -60.11 2.42 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.722 0.638 . . . . 71.43 112.722 -173.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.97 -43.56 77.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.965 0.412 . . . . 63.51 111.186 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE1' ' HG3' ' A' ' 48' ' ' LYS . 36.7 tt0 -69.47 -44.92 70.2 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.834 -0.621 . . . . 71.2 110.863 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.485 ' HG3' ' HB3' ' A' ' 48' ' ' LYS . 54.4 mt-30 -60.46 -47.39 86.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 70.33 110.476 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.79 -47.55 85.83 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.002 -0.544 . . . . 75.33 110.094 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -60.08 -44.26 94.91 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 111.755 0.28 . . . . 74.14 111.755 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' A' ' 53' ' ' GLN . 69.2 mtm -58.86 -43.66 90.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.954 -0.298 . . . . 75.15 110.206 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.468 HG23 HG22 ' A' ' 71' ' ' ILE . 98.2 mt -55.7 -50.49 67.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.084 -0.507 . . . . 62.1 110.686 175.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -64.31 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.978 0.362 . . . . 75.23 111.978 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.553 ' HZ2' ' HB3' ' A' ' 59' ' ' LYS . 9.9 mtpm? -81.1 -30.25 34.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.117 0.414 . . . . 73.42 112.117 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -88.51 -34.15 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 120.537 -0.465 . . . . 74.32 111.062 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.1 32.29 2.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.406 0.622 . . . . 70.44 109.533 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -74.55 87.23 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.607 -0.724 . . . . 64.21 110.626 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.43 31.71 1.66 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.673 -0.694 . . . . 43.43 111.62 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.5 mt 60.4 28.01 17.63 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.182 0.438 . . . . 64.45 112.182 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.7 m120 . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 109.759 -0.46 . . . . 65.22 109.759 175.318 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.2 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.091 -0.337 . . . . 52.42 110.091 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -80.14 87.66 5.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.174 0.512 . . . . 62.22 110.33 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.468 HG22 HG23 ' A' ' 57' ' ' ILE . 2.8 tp -97.64 119.18 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 73.11 110.211 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 84.8 mm-40 -127.59 118.96 24.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.11 -0.496 . . . . 75.12 110.017 178.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.7 p -92.23 124.52 36.36 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 121.015 -0.274 . . . . 71.51 110.752 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 C-N-CA 121.04 -0.6 . . . . 44.31 112.481 -178.494 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.115 0.483 . . . . 72.04 110.723 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -144.4 147.69 33.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.645 -0.707 . . . . 72.35 109.458 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -60.95 -35.09 75.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.766 0.317 . . . . 75.12 110.57 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -69.61 -37.24 76.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 65.43 110.462 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.69 -46.56 71.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 71.13 110.1 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.61 -43.06 97.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.858 -0.61 . . . . 75.31 110.862 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.25 -45.34 91.45 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.774 -0.454 . . . . 73.45 109.774 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.8 -47.56 82.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 72.01 110.608 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.1 mt -59.83 -48.84 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.234 -0.439 . . . . 75.31 111.006 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -72.52 -27.66 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.687 0.28 . . . . 75.13 111.553 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.15 -38.05 36.96 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.968 -0.293 . . . . 71.44 110.522 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.68 -40.03 63.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.065 0.459 . . . . 63.32 110.446 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -129.55 88.77 49.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.074 -0.512 . . . . 74.13 110.741 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.72 -3.69 14.22 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.621 2.214 . . . . 74.32 111.119 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -99.39 14.66 28.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.699 -1.137 . . . . 73.54 109.581 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.13 139.06 48.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 74.4 111.133 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -98.77 138.55 35.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.425 . . . . 74.04 110.219 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -108.03 117.78 54.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 75.31 110.855 -175.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.517 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 13.4 m -122.0 123.35 41.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.096 -0.335 . . . . 61.44 110.096 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 m -83.03 110.35 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.552 0.692 . . . . 74.44 110.622 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 m -94.24 127.26 39.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 63.14 111.106 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 p -85.14 110.24 18.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.731 -0.668 . . . . 64.04 110.98 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.99 -52.0 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.35 110.272 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.621 HG13 ' H ' ' A' ' 32' ' ' ASP . 15.0 p -121.33 -22.25 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.85 -0.614 . . . . 73.4 110.194 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.79 -33.94 6.07 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.872 -0.68 . . . . 63.24 111.49 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.621 ' H ' HG13 ' A' ' 30' ' ' VAL . 25.0 t70 -72.41 153.91 41.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.749 -0.226 . . . . 71.24 110.695 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.612 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . 12.7 m120 -67.02 -15.74 63.92 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.519 0.563 . . . . 73.15 112.519 -174.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -60.72 -34.05 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.952 0.723 . . . . 61.41 112.952 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -157.41 126.44 5.84 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.918 -0.713 . . . . 63.31 112.745 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.612 ' CE2' ' HA ' ' A' ' 33' ' ' ASN . 93.2 m-85 -128.7 174.19 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.939 -1.028 . . . . 71.31 109.727 174.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.8 m -121.69 138.27 54.41 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.924 -0.399 . . . . 63.0 109.924 171.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.1 mt -99.73 115.7 41.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.962 -0.384 . . . . 73.4 109.962 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.517 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 14.0 ttmt -88.93 126.1 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.779 -0.452 . . . . 73.43 109.779 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.2 t -121.32 107.45 20.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.923 -0.581 . . . . 63.22 109.928 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.48 113.05 30.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.275 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.2 t -156.66 146.76 21.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.089 -0.505 . . . . 71.22 110.202 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 m -69.13 -8.79 48.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.144 -0.48 . . . . 73.12 110.831 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -79.19 -10.29 59.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.033 0.444 . . . . 53.44 110.266 175.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -108.3 -10.71 15.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 70.44 110.108 173.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -84.86 143.4 29.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.66 . . . . 75.13 110.286 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 -28.02 6.99 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.61 -0.805 . . . . 61.23 112.146 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -87.71 164.74 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.275 -0.269 . . . . 74.22 110.275 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -97.3 162.98 13.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.096 0.474 . . . . 74.4 111.653 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.623 ' HG3' HD22 ' A' ' 51' ' ' LEU . 16.6 ptpt -55.75 -37.52 68.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.376 -0.829 . . . . 71.43 112.404 -177.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.623 HD22 ' HG3' ' A' ' 50' ' ' LYS . 4.2 mm? -58.41 -47.96 82.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 63.51 110.291 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -60.31 -45.93 91.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.493 -0.776 . . . . 71.2 110.243 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' O ' HG12 ' A' ' 57' ' ' ILE . 88.5 mt-30 -59.75 -46.96 87.56 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.587 -0.733 . . . . 70.33 110.691 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -61.02 -47.48 86.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 75.33 110.824 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 8.6 mpt_? -58.84 -52.34 66.16 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.284 -0.416 . . . . 74.14 111.35 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.422 ' O ' HG22 ' A' ' 60' ' ' VAL . 71.3 mtm -57.17 -49.53 75.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.282 -0.417 . . . . 75.15 111.016 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.529 HG13 HG12 ' A' ' 71' ' ' ILE . 45.9 mm -62.25 -41.07 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 62.1 110.961 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -65.03 -33.75 76.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.024 -0.534 . . . . 75.23 111.046 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -78.2 -41.77 33.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 73.42 111.252 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 56' ' ' MET . 92.3 t -65.92 -44.53 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.957 0.408 . . . . 74.32 110.641 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -94.25 35.19 1.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.108 -0.496 . . . . 70.44 110.172 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.2 125.65 24.11 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.721 -0.672 . . . . 64.21 111.57 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.38 179.17 42.3 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 109.8 -1.32 . . . . 43.43 109.8 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.7 tp -74.99 78.51 2.19 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.924 0.392 . . . . 64.45 110.15 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.925 -0.579 . . . . 65.22 109.498 177.793 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.0 tt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 121.616 0.722 . . . . 52.42 111.633 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.48 1.11 2.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.5 -0.773 . . . . 62.22 110.087 171.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.529 HG12 HG13 ' A' ' 57' ' ' ILE . 2.4 tp -133.99 136.72 53.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.161 -0.927 . . . . 73.11 109.356 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 79.6 mt-30 -122.53 108.31 13.01 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.266 -0.642 . . . . 75.12 109.266 174.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 p -107.11 139.25 41.83 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 116.304 -0.407 . . . . 71.51 111.018 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 C-N-CA 120.946 -0.645 . . . . 44.31 112.347 178.818 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 110.16 -0.311 . . . . 72.04 110.16 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.427 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 5.7 tp-100 63.0 27.31 15.86 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 122.271 1.034 . . . . 72.35 109.628 -175.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 p -65.04 -22.68 67.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.521 -1.218 . . . . 75.12 111.349 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -67.39 -41.48 84.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 65.43 110.382 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.462 HD12 HG13 ' A' ' 38' ' ' ILE . 2.4 tm? -69.31 -40.19 77.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.894 -0.78 . . . . 71.13 108.894 176.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.32 -54.63 43.14 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.677 -0.692 . . . . 75.31 109.937 174.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.3 -35.61 72.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.788 -0.642 . . . . 73.45 111.52 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.42 -48.49 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.037 -0.357 . . . . 72.01 110.037 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.613 HD12 HG23 ' A' ' 38' ' ' ILE . 67.3 mt -68.6 -34.29 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 75.31 110.51 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -61.61 -38.09 86.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.351 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -83.68 -26.33 29.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 71.44 111.308 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.14 -51.31 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.389 -0.369 . . . . 63.32 110.399 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.66 92.82 14.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 74.13 110.151 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.25 -18.18 50.34 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.808 2.339 . . . . 74.32 112.05 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -97.69 22.9 8.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 73.54 110.362 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 42' ' ' SER . . . -112.09 134.02 53.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.754 -0.657 . . . . 74.4 110.653 178.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 7.3 mm-40 -78.4 101.09 7.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.386 -0.598 . . . . 74.04 109.386 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 57.4 mt -87.79 110.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.051 -0.522 . . . . 75.31 110.293 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 25.9 m -109.16 111.68 23.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.504 . . . . 61.44 110.764 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 m -83.05 126.94 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.155 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 m -125.56 116.47 21.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.367 -0.378 . . . . 63.14 111.23 -175.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.536 ' HB3' ' CE2' ' A' ' 36' ' ' TYR . 2.4 p -85.47 111.36 19.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.112 0.482 . . . . 64.04 111.005 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.84 114.48 28.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.181 0.515 . . . . 71.35 109.96 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.15 93.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.723 -0.671 . . . . 73.4 109.894 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.14 -115.87 2.61 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.811 -0.709 . . . . 63.24 111.832 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -84.06 -10.8 57.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.539 0.685 . . . . 71.24 109.585 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -155.31 137.81 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.861 -1.063 . . . . 73.15 108.857 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.67 93.8 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.511 -0.551 . . . . 61.41 109.511 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -122.69 158.81 29.26 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.623 -0.717 . . . . 63.31 109.868 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 38.9 m-85 -115.84 130.7 56.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.786 0.327 . . . . 71.31 110.664 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -101.89 145.32 29.39 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.903 -0.777 . . . . 63.0 108.903 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.613 HG23 HD12 ' A' ' 15' ' ' ILE . 42.3 mm -112.55 109.13 27.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 120.924 0.392 . . . . 73.4 110.596 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 35.4 mtmm -89.46 116.83 27.93 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.725 -0.472 . . . . 73.43 109.725 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.37 104.47 17.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 63.22 110.274 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.526 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 41.2 mm -102.67 112.46 36.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.062 -0.517 . . . . 73.31 109.913 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.517 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 32.2 t -152.1 147.75 26.83 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.42 -0.512 . . . . 71.22 111.185 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 p -64.41 -18.47 64.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.596 -0.729 . . . . 73.12 110.709 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.82 -16.27 62.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.863 -0.608 . . . . 53.44 110.868 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -111.11 -8.76 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.887 0.375 . . . . 70.44 110.49 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -87.61 125.45 34.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.777 -175.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.37 19.87 70.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.083 -0.58 . . . . 61.23 112.495 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -105.02 157.31 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.191 -0.3 . . . . 74.22 110.191 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.439 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 15.6 m -60.58 132.84 55.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.262 -0.426 . . . . 74.4 110.35 175.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 59.2 mttp -61.67 -40.23 94.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 71.43 110.963 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 96.5 mt -54.27 -46.68 72.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.231 -0.441 . . . . 63.51 110.164 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HG2' ' HB2' ' A' ' 49' ' ' SER . 31.4 mm-40 -63.43 -43.0 98.7 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.858 -0.61 . . . . 71.2 111.081 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.504 ' O ' HG12 ' A' ' 57' ' ' ILE . 81.4 mt-30 -57.87 -47.75 81.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.169 0.509 . . . . 70.33 110.118 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -68.94 -39.72 79.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.551 -0.749 . . . . 75.33 110.383 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 51' ' ' LEU . 76.2 mtp180 -53.9 -53.96 45.41 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.104 0.478 . . . . 74.14 110.647 175.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 66.2 mtm -62.99 -46.17 88.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.503 -0.771 . . . . 75.15 111.131 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 53' ' ' GLN . 41.3 mm -64.47 -42.78 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.64 -0.255 . . . . 62.1 111.036 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -66.34 -33.01 74.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.632 0.254 . . . . 75.23 111.061 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -38.52 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.504 -0.317 . . . . 73.42 110.782 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.432 HG13 HD21 ' A' ' 61' ' ' LEU . 14.8 p -80.54 -31.47 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 120.948 -0.301 . . . . 74.32 111.242 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.432 HD21 HG13 ' A' ' 60' ' ' VAL . 4.0 mm? -85.87 6.88 26.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.848 0.356 . . . . 70.44 110.86 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.66 118.56 10.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 64.21 109.883 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.72 52.26 0.27 Allowed Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.654 -0.978 . . . . 43.43 110.654 -173.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 pp -92.82 156.58 16.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.521 -0.34 . . . . 64.45 110.968 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.018 -0.537 . . . . 65.22 109.8 177.45 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 pt . . . . . 0 CA--C 1.532 0.26 0 CA-C-O 121.489 0.661 . . . . 52.42 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.71 18.05 5.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.664 -0.698 . . . . 62.22 109.434 171.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.41 HD11 HD11 ' A' ' 57' ' ' ILE . 7.8 tt -111.12 119.1 58.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.421 -0.809 . . . . 73.11 109.894 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.402 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . 49.1 mt-30 -113.44 108.51 17.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.874 -0.603 . . . . 75.12 110.197 -177.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 p -88.83 138.73 31.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.354 -0.385 . . . . 71.51 111.16 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 121.152 -0.547 . . . . 44.31 112.01 177.427 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.451 HG21 ' HG ' ' A' ' 9' ' ' SER . 4.0 t . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.51 -0.552 . . . . 72.04 109.51 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.47 58.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 72.35 110.304 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.553 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 67.6 m -66.16 -22.65 66.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.919 0.711 . . . . 75.12 112.919 -172.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -67.64 -40.22 84.58 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.208 -0.597 . . . . 65.43 109.473 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.425 ' O ' HG12 ' A' ' 15' ' ' ILE . 3.2 tm? -71.04 -44.07 66.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.726 -0.67 . . . . 71.13 109.293 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.553 ' OE1' ' HA ' ' A' ' 9' ' ' SER . 81.4 mt-10 -57.03 -51.59 68.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.531 . . . . 75.31 110.205 176.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.72 -42.76 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.796 -0.638 . . . . 73.45 110.441 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.22 -49.29 76.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.291 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 11' ' ' LEU . 50.0 mm -59.7 -47.0 92.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.507 -0.315 . . . . 75.31 110.913 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -66.13 -38.25 87.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 75.13 111.368 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.508 ' N ' HD21 ' A' ' 17' ' ' ASN . 0.8 OUTLIER -80.69 -23.07 39.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.446 -0.343 . . . . 71.44 111.126 -176.229 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.69 -47.98 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.715 0.293 . . . . 63.32 110.387 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -128.94 97.8 25.78 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 74.13 110.513 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.45 -25.13 48.73 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.654 2.236 . . . . 74.32 112.126 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -82.03 -1.79 49.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.723 -0.672 . . . . 73.54 111.247 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.29 129.71 43.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.451 -0.34 . . . . 74.4 110.18 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -92.79 131.23 38.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.326 0.584 . . . . 74.04 111.039 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -105.6 117.76 51.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.065 -0.97 . . . . 75.31 109.731 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 14.3 m -119.17 107.68 13.74 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.877 -0.329 . . . . 61.44 110.185 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.03 115.13 24.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.645 0.736 . . . . 74.44 110.122 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.92 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 12.0 m -94.71 111.54 23.31 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.395 -0.821 . . . . 63.14 110.602 -177.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.584 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 37.5 m -87.08 121.69 29.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.557 -0.747 . . . . 64.04 109.375 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.5 ' HG ' HG22 ' A' ' 30' ' ' VAL . 2.4 pt? -135.81 -51.87 0.74 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.837 -0.345 . . . . 71.35 111.725 -175.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.5 HG22 ' HG ' ' A' ' 29' ' ' LEU . 35.6 m -131.44 148.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 73.4 111.407 -174.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.34 -173.83 32.03 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.492 -0.777 . . . . 63.24 113.648 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.433 ' HA ' ' OH ' ' A' ' 36' ' ' TYR . 25.0 t70 -135.73 -63.36 0.66 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.42 -0.585 . . . . 71.24 109.42 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -83.92 53.71 2.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.866 -0.791 . . . . 73.15 108.866 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -136.04 -176.88 4.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 61.41 110.568 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -88.18 137.13 32.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.561 . . . . 63.31 110.3 175.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 63.4 m-85 -107.76 173.66 6.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.943 -0.571 . . . . 71.31 110.287 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.92 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 23.3 t -86.52 126.13 34.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.888 0.375 . . . . 63.0 110.482 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.3 mm -99.9 105.6 17.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.117 0.484 . . . . 73.4 109.908 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.53 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 22.0 ttmm -92.68 113.48 25.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.068 -0.514 . . . . 73.43 109.924 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -98.63 114.53 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.765 -0.652 . . . . 63.22 110.479 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mm -106.06 100.21 10.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.884 -0.598 . . . . 73.31 109.721 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 15.7 m -125.94 136.49 53.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.818 0.342 . . . . 71.22 110.597 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 7.8 t -67.8 -17.21 64.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.804 -0.635 . . . . 73.12 109.536 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -72.19 -8.6 55.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.412 -0.813 . . . . 53.44 111.434 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.466 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 46.3 m-85 -99.28 -10.92 21.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.536 0.198 . . . . 70.44 111.536 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 43' ' ' SER . 19.5 pt20 -78.68 143.61 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 75.13 110.374 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.43 -26.79 12.22 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.371 -0.691 . . . . 61.23 111.371 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -91.8 138.5 31.51 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.362 -0.607 . . . . 74.22 109.362 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.466 ' HB2' ' OE1' ' A' ' 52' ' ' GLU . 20.2 m -81.19 169.76 16.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.376 -0.375 . . . . 74.4 111.045 -173.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -52.17 -34.14 43.69 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.791 -0.64 . . . . 71.43 111.71 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 tt -65.85 -49.7 67.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.386 . . . . 63.51 110.398 -174.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.466 ' OE1' ' HB2' ' A' ' 49' ' ' SER . 2.6 mp0 -58.96 -44.62 91.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.19 0.519 . . . . 71.2 110.025 177.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.409 ' O ' HG13 ' A' ' 57' ' ' ILE . 78.7 mt-30 -59.7 -43.75 93.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 70.33 110.527 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -61.17 -42.45 98.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.309 -0.405 . . . . 75.33 110.966 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -58.0 -49.63 76.2 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.321 0.581 . . . . 74.14 110.558 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.425 ' O ' HG22 ' A' ' 60' ' ' VAL . 82.0 mtp -58.63 -52.96 63.46 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.975 -1.011 . . . . 75.15 110.434 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.592 HG23 HD13 ' A' ' 71' ' ' ILE . 68.8 mt -57.54 -43.12 82.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.075 0.464 . . . . 62.1 110.292 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -54.34 -47.98 71.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.391 -0.822 . . . . 75.23 111.355 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 23.9 mmtt -86.04 -23.95 26.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.308 0.855 . . . . 73.42 113.308 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 56' ' ' MET . 48.2 t -68.02 -47.6 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.595 -0.442 . . . . 74.32 110.077 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.93 -33.61 45.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.146 -0.479 . . . . 70.44 110.049 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 61.47 33.76 18.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.311 -0.859 . . . . 64.21 110.15 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.43 149.06 19.8 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.503 -0.771 . . . . 43.43 111.302 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.15 99.15 5.3 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.945 0.402 . . . . 64.45 110.462 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 C--N 1.322 -0.596 0 CA-C-O 121.068 0.461 . . . . 65.22 110.642 179.821 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 121.868 0.842 . . . . 52.42 110.023 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -2.1 44.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.39 -0.823 . . . . 62.22 111.851 -174.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.592 HD13 HG23 ' A' ' 57' ' ' ILE . 8.0 tt -113.15 119.25 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.235 0.54 . . . . 73.11 110.215 174.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -116.74 119.87 36.82 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.333 -0.617 . . . . 75.12 109.333 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.0 m -107.56 129.74 54.95 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.45 -0.341 . . . . 71.51 111.406 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 C-N-CA 120.976 -0.63 . . . . 44.31 113.624 173.868 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.666 -0.494 . . . . 72.04 109.666 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.29 88.79 3.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.411 -0.589 . . . . 72.35 109.411 175.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 m -59.3 -33.68 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.324 -0.853 . . . . 75.12 112.113 -174.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.44 -37.44 87.54 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.692 -0.403 . . . . 65.43 110.566 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.44 -42.75 71.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.944 0.402 . . . . 71.13 110.111 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -59.79 -51.42 69.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.825 -0.625 . . . . 75.31 109.785 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.99 -38.96 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.661 -0.7 . . . . 73.45 110.662 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.0 -49.35 78.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.745 0.307 . . . . 72.01 110.487 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -64.72 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.654 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -69.08 -33.93 74.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 75.13 111.152 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.32 -33.33 49.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 71.44 110.599 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.06 -45.29 34.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 63.32 110.726 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -126.81 89.81 51.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.388 -0.369 . . . . 74.13 110.644 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.72 6.73 3.1 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 123.012 2.475 . . . . 74.32 111.968 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -115.99 13.18 15.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.559 -0.746 . . . . 73.54 110.303 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.405 ' HB3' HG12 ' A' ' 40' ' ' VAL . . . -112.19 131.82 55.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.521 . . . . 74.4 112.204 -174.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.718 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -85.34 106.95 17.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.832 -0.803 . . . . 74.04 108.832 174.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.4 mt -90.71 124.17 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.874 -0.603 . . . . 75.31 111.549 -174.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.647 ' HB ' ' HE2' ' A' ' 39' ' ' LYS . 86.7 m -135.2 128.79 32.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.297 -0.411 . . . . 61.44 110.643 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.1 m -100.42 121.26 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.0 0.429 . . . . 74.44 110.174 174.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.6 m -120.85 121.13 37.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.233 -0.44 . . . . 63.14 111.293 -176.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 m -80.74 131.11 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.291 -0.413 . . . . 64.04 110.245 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 37' ' ' SER . 7.6 mp -78.82 82.62 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.458 -0.337 . . . . 71.35 110.803 -177.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.4 m 40.26 31.12 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.553 1.141 . . . . 73.4 112.834 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.47 124.94 1.31 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 111.217 -0.753 . . . . 63.24 111.217 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -67.49 -40.07 85.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.834 0.349 . . . . 71.24 111.083 -172.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -111.47 13.11 21.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.859 0.361 . . . . 73.15 110.984 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.03 -79.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.914 0.388 . . . . 61.41 110.748 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -146.19 152.84 39.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.277 -0.42 . . . . 63.31 110.327 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -119.48 135.5 54.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.019 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.482 ' HB2' HD12 ' A' ' 29' ' ' LEU . 9.6 t -106.46 126.22 51.98 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.958 -0.756 . . . . 63.0 108.958 173.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 38' ' ' ILE . 3.8 mp -99.83 104.27 15.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.445 -0.576 . . . . 73.4 109.445 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.647 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 29.6 ttpt -87.02 116.0 24.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.777 -0.647 . . . . 73.43 110.219 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.405 HG12 ' HB3' ' A' ' 22' ' ' ALA . 61.4 t -113.07 104.28 16.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.958 -0.564 . . . . 63.22 109.497 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.718 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 39.6 mm -95.11 107.79 19.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.137 0.494 . . . . 73.31 110.785 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -151.06 136.36 17.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.532 -0.758 . . . . 71.22 109.52 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.1 m -70.37 -2.45 13.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.324 0.583 . . . . 73.12 110.486 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.98 -20.65 45.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.591 -0.731 . . . . 53.44 110.371 176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.43 -10.84 47.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.468 -0.333 . . . . 70.44 111.504 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -81.08 127.61 32.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.179 -0.304 . . . . 75.13 110.179 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.07 2.23 58.18 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.723 -0.751 . . . . 61.23 112.033 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -92.51 132.98 36.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.142 -0.318 . . . . 74.22 110.142 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -75.91 157.04 33.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.095 -0.502 . . . . 74.4 110.283 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -54.82 -41.94 71.29 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.594 0.59 . . . . 71.43 112.594 -174.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.08 -44.33 96.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.701 -0.4 . . . . 63.51 110.404 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -64.31 -41.38 96.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.993 -0.549 . . . . 71.2 110.487 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' O ' HG12 ' A' ' 57' ' ' ILE . 54.2 mt-30 -57.7 -47.29 82.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.146 -0.479 . . . . 70.33 110.022 176.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -62.05 -48.12 81.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.757 -0.656 . . . . 75.33 110.028 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -54.52 -50.95 66.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.887 -0.597 . . . . 74.14 111.382 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.8 mtm -62.13 -47.81 82.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 75.15 111.128 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 53' ' ' GLN . 37.7 mm -64.36 -48.04 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.541 -0.299 . . . . 62.1 111.213 -178.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.474 ' HB3' HD23 ' A' ' 64' ' ' LEU . 17.9 m-85 -63.95 -31.21 72.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.514 -0.312 . . . . 75.23 111.001 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -73.07 -48.95 31.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.712 -0.222 . . . . 73.42 111.169 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.85 -34.74 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 120.863 0.363 . . . . 74.32 111.484 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -85.99 -15.49 41.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.756 0.312 . . . . 70.44 110.194 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 t70 55.97 77.79 0.22 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.182 -0.917 . . . . 64.21 110.774 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.5 83.69 0.1 Allowed Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.239 -0.892 . . . . 43.43 111.854 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' A' ' 58' ' ' TYR . 80.2 mt -83.15 -4.76 58.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.942 0.401 . . . . 64.45 110.907 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.925 -0.58 . . . . 65.22 111.618 -176.204 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 69' ' ' ILE . 3.5 mp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.824 0.821 . . . . 52.42 110.063 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -104.76 4.88 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.031 -0.986 . . . . 62.22 109.133 175.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 tp -96.95 122.83 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.957 -1.02 . . . . 73.11 109.242 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.534 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . 8.9 tp-100 -106.28 110.02 22.13 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.289 0.566 . . . . 75.12 110.829 -175.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.3 p -124.1 146.5 48.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.512 -0.767 . . . . 71.51 109.937 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.879 -0.677 . . . . 44.31 113.032 -176.258 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 109.267 -0.642 . . . . 72.04 109.267 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -76.05 90.66 3.05 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.741 -0.466 . . . . 72.35 109.741 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -59.52 -34.64 72.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.523 -0.762 . . . . 75.12 111.469 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -64.1 -38.43 91.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.33 -0.396 . . . . 65.43 110.119 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.63 -50.58 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 71.13 110.225 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -52.85 -52.29 57.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.814 -0.63 . . . . 75.31 110.372 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.24 -47.36 86.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.6 -0.727 . . . . 73.45 111.305 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.97 -50.87 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.646 0.26 . . . . 72.01 111.166 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.5 mt -68.89 -39.76 80.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.308 -0.406 . . . . 75.31 110.781 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -66.26 -38.46 87.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 75.13 110.964 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.96 -32.92 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.441 -0.345 . . . . 71.44 110.603 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -49.94 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.39 -0.368 . . . . 63.32 111.212 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.71 96.95 19.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.85 0.357 . . . . 74.13 110.806 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.81 -12.09 26.18 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.844 2.363 . . . . 74.32 112.166 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -96.8 10.24 39.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 73.54 110.93 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.08 133.16 52.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.969 0.414 . . . . 74.4 111.124 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.802 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 2.5 mp0 -81.31 114.56 20.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.891 -0.595 . . . . 74.04 109.938 174.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.7 mt -92.93 111.02 23.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.71 -0.677 . . . . 75.31 110.418 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 27.3 m -127.78 105.68 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.03 0.443 . . . . 61.44 111.291 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.1 m -83.37 128.21 38.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.21 0.529 . . . . 74.44 110.664 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 m -106.28 125.02 50.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.996 -0.547 . . . . 63.14 109.758 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 p -91.73 125.04 36.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.664 0.268 . . . . 64.04 111.039 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.83 -160.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.291 -0.633 . . . . 71.35 109.291 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.13 135.77 27.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.907 -0.405 . . . . 73.4 109.907 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.37 46.59 5.77 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 110.752 -0.939 . . . . 63.24 110.752 -174.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -47.45 -68.66 0.17 Allowed 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.638 0.775 . . . . 71.24 112.543 -172.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -79.8 17.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.039 -0.528 . . . . 73.15 112.332 -168.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -124.04 -35.33 2.85 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.75 -0.38 . . . . 61.41 111.101 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -156.99 115.6 3.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.177 0.513 . . . . 63.31 111.778 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -103.87 157.83 16.82 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.038 -0.727 . . . . 71.31 109.038 172.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.9 m -90.44 118.69 30.11 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.785 -0.82 . . . . 63.0 108.785 173.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 tp -99.46 110.94 27.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.686 0.755 . . . . 73.4 111.03 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 68.9 mttm -86.16 109.55 18.96 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.146 -0.934 . . . . 73.43 109.588 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -97.25 103.94 15.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.338 -0.986 . . . . 63.22 108.338 172.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.802 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 21.1 mm -97.29 103.79 15.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.685 -0.689 . . . . 73.31 109.692 -175.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.4 t -149.14 135.08 18.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.244 -0.434 . . . . 71.22 110.562 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.5 t -61.23 -16.41 44.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 73.12 110.469 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -74.18 -14.24 60.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.738 -0.665 . . . . 53.44 111.417 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -92.84 -10.99 34.78 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.883 0.373 . . . . 70.44 111.012 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -94.81 125.6 39.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 75.13 110.465 -175.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.16 -22.67 39.69 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.868 -0.682 . . . . 61.23 111.467 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -70.51 151.71 44.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.785 -0.45 . . . . 74.22 109.785 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.632 ' HB3' ' HG3' ' A' ' 52' ' ' GLU . 19.3 t -66.28 149.46 50.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.175 -0.305 . . . . 74.4 110.175 176.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -64.21 -31.12 72.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.151 -0.314 . . . . 71.43 110.151 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.54 -44.13 97.11 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.621 -0.511 . . . . 63.51 109.621 175.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.632 ' HG3' ' HB3' ' A' ' 49' ' ' SER . 44.3 mt-10 -61.57 -49.09 78.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.778 -0.646 . . . . 71.2 109.823 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' HG12 ' A' ' 57' ' ' ILE . 35.5 mt-30 -54.47 -47.06 73.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.526 -0.761 . . . . 70.33 111.289 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -64.13 -43.07 96.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.574 -0.285 . . . . 75.33 111.009 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -66.77 -41.96 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 74.14 111.332 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.403 ' O ' HG13 ' A' ' 60' ' ' VAL . 88.0 mtp -60.27 -50.29 74.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.415 -0.357 . . . . 75.15 110.217 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.742 ' HA ' HG23 ' A' ' 60' ' ' VAL . 39.1 mm -63.07 -38.0 80.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.186 0.517 . . . . 62.1 110.312 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.578 ' HD1' ' HB3' ' A' ' 65' ' ' ASN . 43.2 t80 -58.83 -38.51 78.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 75.23 110.416 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -85.88 -39.48 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.198 0.444 . . . . 73.42 112.198 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.742 HG23 ' HA ' ' A' ' 57' ' ' ILE . 33.7 m -67.1 -35.58 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 120.478 -0.489 . . . . 74.32 111.249 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.8 mt -79.2 -27.48 42.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.279 -0.637 . . . . 70.44 109.279 173.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 t70 53.75 73.07 0.4 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.749 -1.114 . . . . 64.21 110.816 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.87 -162.7 29.25 Favored Glycine 0 N--CA 1.439 -1.124 0 N-CA-C 110.635 -0.986 . . . . 43.43 110.635 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.4 mt -90.48 96.42 10.64 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.006 0.431 . . . . 64.45 111.004 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . 0.578 ' HB3' ' HD1' ' A' ' 58' ' ' TYR . 40.6 t30 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.754 -0.657 . . . . 65.22 109.612 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.5 mm . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 121.063 0.458 . . . . 52.42 110.44 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -78.76 -35.47 44.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.745 -0.662 . . . . 62.22 110.907 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.4 tp -97.37 129.95 46.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.107 -0.497 . . . . 73.11 111.188 -174.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 86.2 mt-30 -125.67 116.67 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.531 -0.544 . . . . 75.12 109.531 174.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -114.44 127.68 55.95 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.256 -0.429 . . . . 71.51 111.256 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.683 0 C-N-CA 120.764 -0.732 . . . . 44.31 111.857 -178.39 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.741 0.305 . . . . 72.04 110.683 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.97 -17.85 62.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 72.35 110.43 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 m -61.39 -38.32 86.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.029 -0.532 . . . . 75.12 110.587 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.34 -43.29 99.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 65.43 110.032 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.16 -46.94 78.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.461 -0.791 . . . . 71.13 110.583 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 24' ' ' ILE . 29.8 mt-10 -57.82 -51.15 70.76 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.513 -0.312 . . . . 75.31 111.023 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.412 ' HG ' ' OD1' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -56.14 -48.13 76.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.449 -0.341 . . . . 73.45 110.91 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.56 -51.25 65.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.99 0.424 . . . . 72.01 111.115 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.41 ' HB ' ' CD1' ' A' ' 24' ' ' ILE . 48.4 mm -67.94 -39.69 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.798 -0.637 . . . . 75.31 110.75 -178.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -72.54 -24.03 61.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 75.13 111.227 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HG ' ' A' ' 13' ' ' LEU . 11.0 m120 -81.58 -44.71 16.89 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.821 -0.437 . . . . 71.44 109.821 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.98 80.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.002 -0.544 . . . . 63.32 110.857 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.564 ' HE2' ' HB ' ' A' ' 60' ' ' VAL . 91.7 m-85 -126.23 95.33 39.12 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.398 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.01 -15.31 46.52 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.893 2.395 . . . . 74.32 111.617 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -88.42 -11.43 46.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.332 -0.849 . . . . 73.54 110.917 -177.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 42' ' ' SER . . . -96.06 129.44 43.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.366 0.506 . . . . 74.4 112.366 -170.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.597 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 60.7 mm-40 -88.77 124.8 34.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.558 -0.747 . . . . 74.04 109.345 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 12' ' ' GLU . 33.3 mt -94.13 110.75 24.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.442 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.529 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 15.6 m -109.64 105.79 15.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.839 0.352 . . . . 61.44 110.62 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.15 106.54 15.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.466 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.0 m -96.78 123.35 40.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 63.14 110.515 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.406 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 23.1 t -78.97 134.52 36.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.225 -0.443 . . . . 64.04 110.105 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 35' ' ' HIS . 62.5 mt -102.01 125.29 48.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.014 0.435 . . . . 71.35 110.251 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -65.88 167.43 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 73.4 112.16 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.05 -134.03 9.64 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.953 -0.641 . . . . 63.24 112.063 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -136.05 0.25 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.385 0.612 . . . . 71.24 110.407 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -100.48 146.6 26.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 73.15 109.966 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.94 80.0 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.208 -0.664 . . . . 61.41 109.208 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.591 ' HB3' HD12 ' A' ' 29' ' ' LEU . 1.4 m-70 -122.9 135.98 54.7 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.509 -0.769 . . . . 63.31 110.097 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.406 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 95.2 m-85 -132.28 159.08 40.17 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.909 -0.587 . . . . 71.31 110.085 177.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.2 m -118.54 119.31 34.14 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.058 -0.719 . . . . 63.0 109.058 171.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 pt -99.36 105.64 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.644 0.735 . . . . 73.4 109.981 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 39.2 ttpt -85.97 113.22 21.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.083 -0.962 . . . . 73.43 110.16 -177.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.409 HG12 ' HB2' ' A' ' 22' ' ' ALA . 45.8 t -91.99 107.09 18.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.288 -0.869 . . . . 63.22 110.184 -179.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.597 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 47.9 mm -94.89 103.9 15.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.334 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.483 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 37.2 t -157.35 130.96 7.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 71.22 110.698 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.3 t -66.28 -13.55 60.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 73.12 110.451 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -62.93 -26.45 68.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 53.44 110.739 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -89.11 -9.87 49.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.033 0.444 . . . . 70.44 110.812 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.42 137.57 32.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.291 -0.633 . . . . 75.13 109.291 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.43 -9.28 62.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.191 -0.528 . . . . 61.23 112.445 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 12.2 mptt -103.81 149.44 25.04 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.195 -0.298 . . . . 74.22 110.195 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.522 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 44.4 m -84.46 171.08 12.87 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.227 -0.286 . . . . 74.4 110.227 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -51.84 -46.09 64.23 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.724 0.638 . . . . 71.43 112.724 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.55 -47.47 85.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.825 0.345 . . . . 63.51 110.551 -176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.72 -46.08 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 71.2 110.616 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 49' ' ' SER . 49.9 mt-30 -60.09 -47.29 86.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 70.33 110.807 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.15 -41.27 99.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.315 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 22.9 mtt180 -64.74 -37.19 86.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.505 -0.316 . . . . 74.14 111.469 178.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 74.1 mtm -65.63 -36.84 84.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.873 0.368 . . . . 75.15 110.122 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.804 HG22 HD12 ' A' ' 71' ' ' ILE . 86.3 mt -61.73 -41.48 90.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.971 -0.559 . . . . 62.1 110.209 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -64.59 -35.06 79.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.638 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 55' ' ' ARG . 54.9 mtpt -65.09 -51.66 60.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 73.42 111.54 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.564 ' HB ' ' HE2' ' A' ' 19' ' ' PHE . 7.7 p -72.87 -36.47 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 74.32 112.116 -173.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.506 HD11 ' O ' ' A' ' 61' ' ' LEU . 2.2 tm? -89.43 -26.87 20.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.67 0.271 . . . . 70.44 110.559 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 57.05 70.16 0.68 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.343 0.592 . . . . 64.21 109.655 -171.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.5 -157.52 22.63 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.642 -0.789 . . . . 43.43 112.67 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -149.85 -164.66 2.07 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.195 -0.668 . . . . 64.45 109.195 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.636 0.731 . . . . 65.22 111.209 178.169 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.017 0.437 . . . . 52.42 110.183 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -106.26 -13.86 15.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 62.22 110.979 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.804 HD12 HG22 ' A' ' 57' ' ' ILE . 17.4 tt -119.98 138.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.093 0.473 . . . . 73.11 111.18 -175.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 6.3 tp60 -133.49 148.87 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.703 -0.851 . . . . 75.12 108.703 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.4 p -120.54 141.62 50.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.12 0.486 . . . . 71.51 111.529 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.458 ' HA3' HD12 ' A' ' 41' ' ' ILE . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 111.226 -0.75 . . . . 44.31 111.226 176.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.98 -0.378 . . . . 72.04 109.98 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -89.42 93.32 9.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.967 0.413 . . . . 72.35 109.911 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m -65.3 -26.26 67.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.635 -0.711 . . . . 75.12 110.892 -176.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -66.45 -40.84 89.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 65.43 110.297 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.6 -41.83 83.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.42 -0.585 . . . . 71.13 109.42 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.44 -41.17 98.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 75.31 110.372 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.09 -39.71 90.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 73.45 110.302 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 tp -60.37 -50.8 72.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.158 -0.474 . . . . 72.01 110.402 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.16 -35.43 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.643 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.468 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -68.4 -33.1 73.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.532 -178.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -81.17 -29.58 34.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.937 -0.305 . . . . 71.44 110.905 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.0 -55.3 5.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.374 . . . . 63.32 110.991 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -132.32 84.0 53.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.13 109.885 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.93 -43.52 6.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.812 2.342 . . . . 74.32 113.445 -173.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.52 -2.45 58.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.464 -0.335 . . . . 73.54 111.789 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.2 162.99 21.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.5 -0.318 . . . . 74.4 110.694 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.939 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 7.6 tp10 -74.98 103.73 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.698 -0.482 . . . . 74.04 109.698 176.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.99 110.83 23.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.86 -0.609 . . . . 75.31 110.073 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.9 m -132.33 123.59 27.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.334 -0.393 . . . . 61.44 110.593 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 m -93.15 120.61 42.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.106 0.479 . . . . 74.44 109.773 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.94 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 31.4 m -93.23 105.21 17.32 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.069 0.462 . . . . 63.14 110.059 -177.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -89.61 108.47 19.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.704 -0.68 . . . . 64.04 109.952 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -128.44 -170.02 2.18 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.646 -0.707 . . . . 71.35 109.534 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.96 96.43 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.929 0.871 . . . . 73.4 110.236 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.99 40.93 1.42 Allowed Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.101 -0.954 . . . . 63.24 111.112 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 60.01 20.18 9.29 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.055 0.542 . . . . 71.24 110.85 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.8 18.5 9.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.422 -0.808 . . . . 73.15 111.285 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -119.45 -55.32 2.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.381 -0.372 . . . . 61.41 110.959 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.433 ' HB3' HE22 ' A' ' 70' ' ' GLN . 5.0 m80 -99.79 123.2 43.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.004 0.43 . . . . 63.31 111.362 -177.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -116.09 163.7 15.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.593 -0.73 . . . . 71.31 109.402 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.94 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 28.4 m -86.46 139.08 31.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.961 0.41 . . . . 63.0 110.756 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.02 113.89 36.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.517 -0.549 . . . . 73.4 109.517 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -110.97 116.72 31.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.041 0.448 . . . . 73.43 110.413 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.49 107.58 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.943 -0.571 . . . . 63.22 110.056 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.939 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 49.7 mm -96.13 107.62 19.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.176 0.512 . . . . 73.31 110.188 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -141.98 147.8 37.54 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.711 -0.677 . . . . 71.22 109.857 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -63.91 -14.42 53.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.39 -0.368 . . . . 73.12 110.961 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.54 -15.29 61.77 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.894 0.378 . . . . 53.44 110.757 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.42 ' HB3' ' CA ' ' A' ' 74' ' ' GLY . 60.2 m-85 -105.83 -10.56 16.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 70.44 111.009 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -87.64 133.15 33.87 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.922 0.391 . . . . 75.13 110.588 -173.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.96 12.95 83.0 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.982 -0.553 . . . . 61.23 112.7 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -93.68 143.11 26.61 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.853 -0.425 . . . . 74.22 109.853 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.8 m -79.63 170.89 15.89 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.581 -0.526 . . . . 74.4 109.581 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 50' ' ' LYS . 9.9 mtmp? -53.43 -42.7 67.35 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.774 0.287 . . . . 71.43 111.774 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.62 -56.1 24.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.674 0.274 . . . . 63.51 110.774 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -57.89 -43.68 86.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.935 -0.575 . . . . 71.2 111.462 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' O ' HG12 ' A' ' 57' ' ' ILE . 46.5 mt-30 -65.39 -43.58 90.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.618 -0.264 . . . . 70.33 111.138 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.417 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 37.9 m170 -60.81 -41.48 95.77 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.844 -0.428 . . . . 75.33 109.844 178.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.64 -46.06 91.73 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.7 -0.682 . . . . 74.14 111.111 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.4 mmm -62.03 -44.65 96.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.063 -0.517 . . . . 75.15 110.943 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.525 ' HA ' HG11 ' A' ' 60' ' ' VAL . 40.3 mm -68.12 -38.22 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 62.1 110.461 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.03 -31.78 72.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.117 0.484 . . . . 75.23 110.332 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -75.06 -46.64 33.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.789 -0.641 . . . . 73.42 110.931 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.525 HG11 ' HA ' ' A' ' 57' ' ' ILE . 11.4 p -71.83 -38.53 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 120.647 0.26 . . . . 74.32 111.281 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.463 ' HG ' HG13 ' A' ' 60' ' ' VAL . 90.8 mt -98.93 35.89 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.113 0.482 . . . . 70.44 110.362 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.11 140.43 52.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.35 -0.841 . . . . 64.21 111.729 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.88 -43.16 0.84 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.098 -0.801 . . . . 43.43 111.098 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.8 mt -139.68 175.29 9.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.395 -0.594 . . . . 64.45 109.395 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 t30 . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 107.679 -1.23 . . . . 65.22 107.679 171.762 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.602 HG22 ' HG3' ' A' ' 70' ' ' GLN . 59.6 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.509 -0.923 . . . . 52.42 108.509 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.613 ' HB3' ' HA ' ' A' ' 37' ' ' SER . 97.0 mt-30 68.26 21.4 8.48 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.596 0.56 . . . . 62.22 110.848 -178.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.2 tp -97.26 126.25 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.72 -0.673 . . . . 73.11 109.197 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -123.92 107.81 11.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.176 0.513 . . . . 75.12 109.685 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 p -155.81 145.1 20.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.365 -0.834 . . . . 71.51 110.669 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.42 ' CA ' ' HB3' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 121.072 -0.585 . . . . 44.31 113.857 171.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.694 -0.484 . . . . 72.04 109.694 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -119.21 81.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.857 0.36 . . . . 72.35 110.388 -176.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -52.03 -52.87 48.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.734 0.642 . . . . 75.12 112.734 -172.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -70.89 -25.26 62.71 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.858 -0.337 . . . . 65.43 111.071 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.06 -50.94 24.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.132 -0.692 . . . . 71.13 109.132 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.501 ' HG3' HG23 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -51.27 -47.2 62.57 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.043 -0.526 . . . . 75.31 110.426 173.509 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.47 -47.48 83.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.671 -0.695 . . . . 73.45 110.671 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.74 -48.58 80.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.849 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.24 -41.22 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.38 . . . . 75.31 110.838 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -66.01 -30.98 71.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 75.13 111.06 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -80.42 -32.99 37.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.511 -0.313 . . . . 71.44 111.018 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.26 -47.44 43.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.134 0.493 . . . . 63.32 110.433 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -131.58 99.46 17.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.607 -0.724 . . . . 74.13 109.812 178.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.7 -26.76 45.49 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.63 2.22 . . . . 74.32 112.101 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -96.54 35.33 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.625 -0.716 . . . . 73.54 110.365 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.45 139.86 49.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 74.4 111.993 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.674 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 13.9 mm-40 -91.48 119.72 31.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.58 -0.736 . . . . 74.04 109.516 171.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.501 HG23 ' HG3' ' A' ' 12' ' ' GLU . 4.6 mp -99.92 110.98 28.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.816 0.341 . . . . 75.31 110.115 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 22.9 m -115.31 107.75 15.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.058 0.456 . . . . 61.44 111.049 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.7 t -84.05 107.77 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.865 -0.607 . . . . 74.44 109.64 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -109.27 142.68 39.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.38 0.61 . . . . 63.14 111.503 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 m -93.64 130.9 39.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.35 -0.841 . . . . 64.04 109.8 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.02 -36.75 75.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.568 -0.287 . . . . 71.35 111.032 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t 61.72 89.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.527 0.679 . . . . 73.4 109.785 -175.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.52 -41.24 1.57 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.181 -1.167 . . . . 63.24 110.181 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -117.47 102.41 9.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.411 -0.959 . . . . 71.24 108.411 169.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -112.55 17.31 19.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.792 0.329 . . . . 73.15 111.834 -173.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.33 -30.03 68.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.208 0.528 . . . . 61.41 110.347 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.39 163.88 32.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.592 -0.731 . . . . 63.31 109.361 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -105.77 153.38 21.96 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.371 -0.604 . . . . 71.31 109.371 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m -91.75 133.93 35.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.851 0.358 . . . . 63.0 110.703 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mm -99.61 107.27 20.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.087 -0.506 . . . . 73.4 109.886 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 54.0 mtpt -92.45 121.51 33.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.003 -0.544 . . . . 73.43 110.116 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.86 111.83 37.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.99 -0.55 . . . . 63.22 110.552 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.674 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 45.7 mm -105.52 98.62 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.621 -0.511 . . . . 73.31 109.621 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.402 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 27.2 t -131.94 141.98 49.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.107 0.48 . . . . 71.22 111.208 -178.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.3 m -66.53 -5.12 10.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.46 -0.791 . . . . 73.12 111.047 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -84.77 -6.45 59.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.282 -0.417 . . . . 53.44 111.235 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.402 ' CD2' ' HB3' ' A' ' 42' ' ' SER . 67.6 m-85 -102.92 8.46 39.11 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 111.973 0.36 . . . . 70.44 111.973 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -72.13 123.5 23.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.57 0.7 . . . . 75.13 111.099 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.4 9.37 86.58 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.437 -0.801 . . . . 61.23 113.118 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 3.7 mptp? -81.73 130.86 35.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.452 0.644 . . . . 74.22 111.034 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 22.8 p -85.0 163.84 18.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.834 -1.075 . . . . 74.4 109.831 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -59.08 -39.97 83.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 121.062 -0.255 . . . . 71.43 111.088 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.42 -49.14 78.77 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.174 0.512 . . . . 63.51 109.843 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.417 ' CD ' ' HG3' ' A' ' 48' ' ' LYS . 62.8 tt0 -59.62 -49.6 77.13 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.179 -0.919 . . . . 71.2 110.706 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 49' ' ' SER . 79.7 mt-30 -55.21 -47.6 75.07 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.998 -0.546 . . . . 70.33 110.745 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -60.41 -45.93 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 75.33 110.649 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -61.41 -42.86 99.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 111.627 0.232 . . . . 74.14 111.627 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 73.3 mtm -63.35 -46.84 84.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.543 0.211 . . . . 75.15 111.165 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.564 HD13 HG21 ' A' ' 71' ' ' ILE . 82.7 mt -59.58 -47.27 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.182 0.515 . . . . 62.1 110.281 177.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -61.27 -32.49 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.573 -0.74 . . . . 75.23 110.944 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -75.1 -50.61 15.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.536 . . . . 73.42 111.261 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.11 -34.62 64.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.641 -0.254 . . . . 74.32 111.336 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -79.22 -38.89 34.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.685 -0.487 . . . . 70.44 109.685 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 50.55 75.35 0.18 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.496 -0.775 . . . . 64.21 111.347 -177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 174.01 -162.5 33.12 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 110.343 -1.103 . . . . 43.43 110.343 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.92 114.75 26.4 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.955 0.407 . . . . 64.45 110.185 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.978 -0.555 . . . . 65.22 109.883 -177.86 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.8 mm . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.266 0.555 . . . . 52.42 111.35 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -94.24 -45.2 7.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.681 0.753 . . . . 62.22 109.555 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.564 HG21 HD13 ' A' ' 57' ' ' ILE . 2.7 tp -114.46 126.04 71.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.933 -1.03 . . . . 73.11 110.169 -175.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 10.1 mm100 -127.0 120.41 28.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.968 0.413 . . . . 75.12 110.67 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 m -116.05 119.98 37.6 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.679 -0.489 . . . . 71.51 109.679 175.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 C-N-CA 120.687 -0.768 . . . . 44.31 111.646 -176.45 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.432 HG23 HG23 ' A' ' 26' ' ' VAL . 38.0 p . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.14 0.495 . . . . 72.04 111.54 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -99.82 99.84 10.7 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.796 -0.816 . . . . 72.35 108.796 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 t -55.16 -38.49 68.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.928 -1.033 . . . . 75.12 111.611 -171.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.35 -53.98 52.03 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.128 -0.229 . . . . 65.43 111.238 -177.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 12' ' ' GLU . 4.6 pp -71.62 -33.51 69.03 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.842 -0.343 . . . . 71.13 111.39 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.14 -49.66 69.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.103 0.478 . . . . 75.31 109.823 177.132 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.582 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 2.3 tt -60.34 -36.37 77.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.405 -0.816 . . . . 73.45 110.733 177.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.54 -50.89 72.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 72.01 110.203 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 11' ' ' LEU . 49.6 mm -62.71 -44.58 99.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.998 0.428 . . . . 75.31 110.534 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 tpt85 -64.15 -37.68 88.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 75.13 111.457 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.582 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 22.0 m-80 -80.83 -34.63 33.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.467 -0.333 . . . . 71.44 111.14 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -43.86 78.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.767 0.317 . . . . 63.32 110.354 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.16 104.86 16.48 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.527 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.2 -13.43 36.05 Favored 'Trans proline' 0 CA--C 1.528 0.199 0 C-N-CA 122.71 2.273 . . . . 74.32 111.954 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -98.97 16.57 22.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.716 -0.675 . . . . 73.54 110.198 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.9 129.64 51.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.961 -0.563 . . . . 74.4 111.714 -176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.719 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 37.3 tt0 -100.0 117.63 34.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.289 -0.869 . . . . 74.04 109.038 172.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 24' ' ' ILE . 4.4 mp -96.23 110.69 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.963 -0.384 . . . . 75.31 109.963 -178.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 89.4 m -116.7 108.28 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.787 0.327 . . . . 61.44 110.505 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 HG23 ' A' ' 7' ' ' THR . 19.1 m -84.3 126.27 40.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.253 0.549 . . . . 74.44 110.449 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.432 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 17.1 m -121.68 122.71 40.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.89 -0.596 . . . . 63.14 111.055 -177.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.0 t -78.82 122.08 25.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.215 -0.661 . . . . 64.04 109.215 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 35' ' ' HIS . 10.7 mp -66.54 105.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 71.35 110.827 -177.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.36 134.14 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 73.4 110.785 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.14 -69.78 0.28 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.831 -0.699 . . . . 63.24 111.887 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.39 -40.78 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.668 0.27 . . . . 71.24 111.297 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.73 43.83 14.93 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.587 0.708 . . . . 73.15 109.294 -169.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -65.72 -25.93 67.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.395 -0.82 . . . . 61.41 110.612 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.469 ' O ' HD13 ' A' ' 29' ' ' LEU . 72.7 m80 -146.43 172.45 13.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.56 -0.904 . . . . 63.31 108.56 178.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.37 126.86 55.74 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.147 -0.686 . . . . 71.31 109.147 174.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.436 ' HB2' HD12 ' A' ' 29' ' ' LEU . 28.0 t -86.79 120.9 28.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.976 0.417 . . . . 63.0 110.149 -176.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 tt -100.06 105.61 17.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.592 0.711 . . . . 73.4 110.222 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.536 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 27.2 mtpp -85.9 109.56 18.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.472 -0.785 . . . . 73.43 109.227 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.51 ' HB ' HG22 ' A' ' 73' ' ' THR . 41.3 t -101.25 104.26 16.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.17 0.51 . . . . 63.22 109.937 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.719 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 48.6 mm -95.95 105.4 17.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.679 -0.691 . . . . 73.31 109.851 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.453 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 18.8 m -138.86 133.38 31.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.959 -0.564 . . . . 71.22 110.077 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 t -62.05 -19.97 63.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.725 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -23.83 67.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 53.44 111.201 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 75.0 m-85 -88.33 -5.03 58.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.561 0.219 . . . . 70.44 111.093 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -65.06 116.6 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 75.13 111.028 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.96 17.98 78.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.99 -0.624 . . . . 61.23 113.277 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.772 ' HE2' ' HG3' ' A' ' 52' ' ' GLU . 14.1 mmmm -89.9 142.3 27.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.055 0.427 . . . . 74.22 110.337 177.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.03 167.8 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.733 -0.667 . . . . 74.4 111.114 -179.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -66.75 -31.11 71.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.404 . . . . 71.43 110.451 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.1 -39.47 94.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.314 0.578 . . . . 63.51 110.194 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.772 ' HG3' ' HE2' ' A' ' 48' ' ' LYS . 44.3 mm-40 -59.79 -44.9 93.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.152 -0.931 . . . . 71.2 109.87 176.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.05 -44.43 87.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.597 -0.729 . . . . 70.33 110.186 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -55.62 -51.58 66.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.649 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -56.49 -53.73 54.06 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.262 0.351 . . . . 74.14 111.12 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.2 mmm -57.07 -53.68 55.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.9 -0.591 . . . . 75.15 111.387 -175.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.569 HG21 HD11 ' A' ' 71' ' ' ILE . 71.0 mt -61.57 -45.75 98.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.467 -0.333 . . . . 62.1 111.014 -178.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -64.78 -31.67 73.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.957 -0.565 . . . . 75.23 111.308 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.732 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -84.05 -44.13 14.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.565 -0.289 . . . . 73.42 111.569 -179.538 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.55 -49.25 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 74.32 111.098 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 71' ' ' ILE . 4.6 mm? -87.58 24.3 1.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.217 0.532 . . . . 70.44 110.368 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.68 101.45 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.556 -0.747 . . . . 64.21 111.404 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.03 54.04 0.47 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 109.943 -1.263 . . . . 43.43 109.943 172.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt 67.48 15.2 9.8 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.396 0.617 . . . . 64.45 110.525 -171.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.515 -0.378 0 CA-C-N 115.691 -0.686 . . . . 65.22 109.721 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.0 pt . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.741 0.305 . . . . 52.42 111.796 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.6 pm0 -103.5 4.29 35.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.048 0.452 . . . . 62.22 110.848 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.569 HD11 HG21 ' A' ' 57' ' ' ILE . 11.5 tt -105.61 139.56 26.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 73.11 111.438 -175.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.476 ' OE1' ' HG2' ' A' ' 39' ' ' LYS . 45.8 tt0 -127.57 108.62 10.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.72 -0.474 . . . . 75.12 109.72 172.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.51 HG22 ' HB ' ' A' ' 40' ' ' VAL . 14.6 p -115.17 132.97 56.44 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.248 -0.433 . . . . 71.51 110.768 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.874 0 C-N-CA 120.394 -0.907 . . . . 44.31 112.589 178.454 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 109.948 -0.39 . . . . 72.04 109.948 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . 13.8 mm100 -86.87 73.87 9.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.836 -0.431 . . . . 72.35 109.836 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -66.88 -39.34 87.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.184 -0.462 . . . . 75.12 111.191 -174.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -68.43 -37.3 80.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.989 0.424 . . . . 65.43 110.3 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 8' ' ' GLN . 7.5 mp -71.91 -36.96 70.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.91 -0.586 . . . . 71.13 110.236 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.47 -50.05 75.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.353 -0.61 . . . . 75.31 109.353 174.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.79 -40.65 76.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.282 -0.872 . . . . 73.45 110.231 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.3 tp -58.84 -51.08 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.276 -0.42 . . . . 72.01 110.789 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mm -70.25 -43.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.998 -0.547 . . . . 75.31 110.894 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -65.34 -32.0 73.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.396 -0.366 . . . . 75.13 111.263 -178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.63 -35.73 33.57 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.16 -0.337 . . . . 71.44 110.583 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -45.8 67.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.305 -0.407 . . . . 63.32 110.69 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.32 98.27 23.61 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.938 -0.574 . . . . 74.13 110.0 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.16 -10.38 27.21 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.657 2.238 . . . . 74.32 111.63 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.78 18.46 21.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.449 -0.796 . . . . 73.54 110.679 -178.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.53 139.89 49.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.499 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -98.54 147.01 25.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.188 0.518 . . . . 74.04 111.721 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.528 HG23 HG23 ' A' ' 38' ' ' ILE . 3.8 mp -103.96 111.06 32.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.371 -0.831 . . . . 75.31 110.65 -177.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 17.2 m -106.5 105.52 15.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.157 -0.474 . . . . 61.44 110.079 177.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.429 HG23 HG12 ' A' ' 38' ' ' ILE . 48.2 t -86.36 113.39 24.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.184 0.516 . . . . 74.44 110.886 -176.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.9 m -98.34 120.08 38.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.474 -0.784 . . . . 63.14 110.171 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p -89.44 111.91 22.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.993 0.425 . . . . 64.04 110.483 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 29' ' ' LEU . 2.9 mm? -88.28 77.84 8.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.935 -0.394 . . . . 71.35 109.935 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -81.71 90.21 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.24 0.543 . . . . 73.4 110.465 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 32' ' ' ASP . . . -147.26 74.86 0.28 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.476 -0.784 . . . . 63.24 111.671 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 3.8 m-20 71.22 7.92 6.26 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.232 0.613 . . . . 71.24 111.611 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -158.97 163.68 36.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.914 -0.402 . . . . 73.15 109.914 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -103.96 84.72 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.271 -0.422 . . . . 61.41 110.695 176.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -112.09 128.85 56.32 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.523 -0.547 . . . . 63.31 109.523 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -116.92 127.39 54.2 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.768 0.318 . . . . 71.31 110.194 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.3 m -119.76 133.42 55.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.02 -0.536 . . . . 63.0 109.869 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.528 HG23 HG23 ' A' ' 24' ' ' ILE . 53.4 mt -99.85 119.58 48.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.316 -0.402 . . . . 73.4 111.185 -177.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 28.7 mtpp -90.96 120.73 32.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.861 -0.608 . . . . 73.43 110.015 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.5 t -90.03 109.16 20.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.62 -0.718 . . . . 63.22 109.74 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -101.9 117.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.698 -0.683 . . . . 73.31 110.805 -176.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -161.05 144.99 13.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.731 -0.668 . . . . 71.22 109.617 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.5 m -66.21 -11.51 50.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 73.12 111.035 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -79.81 -13.03 59.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 53.44 110.566 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -95.67 -10.55 29.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.159 0.504 . . . . 70.44 110.005 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -75.98 130.99 39.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.459 -0.571 . . . . 75.13 109.459 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.12 -23.92 34.03 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.731 -0.747 . . . . 61.23 111.799 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.78 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.9 mmpt? -63.35 145.95 54.52 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.916 0.389 . . . . 74.22 110.727 173.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.4 m -80.35 156.5 26.71 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.136 -0.69 . . . . 74.4 109.136 171.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.91 -41.77 75.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.898 0.38 . . . . 71.43 110.467 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.76 -42.49 99.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.808 -0.633 . . . . 63.51 110.108 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.96 -52.7 63.24 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.88 0.372 . . . . 71.2 110.586 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.437 ' O ' HG12 ' A' ' 57' ' ' ILE . 79.9 mt-30 -59.87 -41.32 91.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.645 -0.707 . . . . 70.33 110.672 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -64.54 -40.2 95.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.329 -0.396 . . . . 75.33 111.232 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -66.58 -49.84 65.04 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.962 0.164 . . . . 74.14 111.288 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.7 ptm -62.38 -39.32 92.83 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.895 -0.322 . . . . 75.15 110.705 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 53' ' ' GLN . 34.9 mm -69.49 -43.19 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.378 . . . . 62.1 110.48 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -57.75 -37.17 73.17 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.822 -0.626 . . . . 75.23 110.66 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -79.82 -50.42 10.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.611 . . . . 73.42 111.328 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.54 -38.31 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.464 -0.335 . . . . 74.32 111.887 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.05 -2.61 38.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.798 -0.183 . . . . 70.44 111.2 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 58.18 29.69 18.31 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.369 0.604 . . . . 64.21 111.411 172.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.91 112.0 4.3 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.749 -0.738 . . . . 43.43 111.421 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 tt -100.5 114.04 27.32 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.867 -0.42 . . . . 64.45 109.867 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 t30 . . . . . 0 C--O 1.235 0.313 0 CA-C-N 115.575 -0.738 . . . . 65.22 111.312 -179.672 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 pt . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.44 0.638 . . . . 52.42 110.772 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -89.26 -28.66 19.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.57 -0.741 . . . . 62.22 110.14 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.6 tt -122.65 129.08 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.048 -0.524 . . . . 73.11 110.818 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.585 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 9.1 mm100 -124.4 148.01 47.86 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.527 -0.76 . . . . 75.12 109.201 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 p -108.91 -174.3 2.48 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.901 -0.319 . . . . 71.51 111.179 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 C-N-CA 120.674 -0.774 . . . . 44.31 111.585 176.655 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.534 HG22 HG21 ' A' ' 26' ' ' VAL . 14.6 t . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.49 -0.559 . . . . 72.04 109.49 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.486 ' HG3' ' H ' ' A' ' 11' ' ' LEU . 6.1 tp-100 -64.01 112.28 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.959 -0.386 . . . . 72.35 109.959 176.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -57.06 -34.42 68.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.748 -0.66 . . . . 75.12 111.387 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.63 -37.35 84.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 65.43 110.571 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 3.0 tt -70.84 -42.0 70.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.382 -0.599 . . . . 71.13 109.382 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -58.22 -48.61 79.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.693 -0.685 . . . . 75.31 109.649 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.07 -38.25 82.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.435 -0.802 . . . . 73.45 110.915 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.99 -47.66 83.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.481 . . . . 72.01 109.882 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.73 -39.97 87.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.575 -0.284 . . . . 75.31 110.545 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.49 -35.59 78.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.337 . . . . 75.13 111.197 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -76.46 -33.52 58.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.801 0.334 . . . . 71.44 110.949 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.0 -48.42 53.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.054 0.454 . . . . 63.32 110.16 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -135.34 97.2 13.36 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.898 -0.592 . . . . 74.13 109.538 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.91 -20.42 51.42 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.642 2.228 . . . . 74.32 112.912 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.86 15.63 27.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.937 0.398 . . . . 73.54 110.759 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -95.79 129.4 43.03 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.103 -0.499 . . . . 74.4 109.998 175.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -88.86 126.67 35.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.996 -0.547 . . . . 74.04 109.718 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.17 110.97 21.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.794 -0.639 . . . . 75.31 110.39 -177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 8.0 m -113.23 105.41 13.39 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.734 -0.386 . . . . 61.44 110.423 174.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.534 HG21 HG22 ' A' ' 7' ' ' THR . 52.3 t -98.06 106.73 19.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.04 0.448 . . . . 74.44 109.902 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -110.18 147.74 33.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.879 -0.6 . . . . 63.14 110.571 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -96.44 137.67 35.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.903 -0.59 . . . . 64.04 109.689 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 32' ' ' ASP . 8.6 mp -68.29 138.59 55.6 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.985 -0.376 . . . . 71.35 109.985 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -63.36 91.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.593 0.711 . . . . 73.4 111.486 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.24 -11.7 10.61 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.844 -0.616 . . . . 63.24 112.103 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.506 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -121.03 103.43 9.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.721 0.296 . . . . 71.24 110.709 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -86.29 -14.17 44.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.035 0.445 . . . . 73.15 110.351 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -88.7 -45.94 9.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.897 -0.592 . . . . 61.41 110.229 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -85.05 126.26 33.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.095 -0.502 . . . . 63.31 110.566 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -118.22 152.92 34.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.825 -0.435 . . . . 71.31 109.825 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.8 m -119.98 129.42 54.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.686 -0.487 . . . . 63.0 109.686 175.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.32 102.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.6 0.714 . . . . 73.4 109.957 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 27.8 ttpp -89.43 109.89 20.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.094 -0.957 . . . . 73.43 110.083 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 ' HB2' ' A' ' 22' ' ' ALA . 97.2 t -96.92 125.43 49.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.619 -0.718 . . . . 63.22 110.639 -177.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.471 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.9 mt -111.52 131.48 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.811 0.338 . . . . 73.31 110.898 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.518 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 35.2 t -162.78 148.38 12.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.701 -0.681 . . . . 71.22 109.393 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -56.83 -32.7 66.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 73.12 111.157 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -67.91 -14.52 63.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.538 -0.301 . . . . 53.44 111.402 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.804 ' HB3' HE22 ' A' ' 53' ' ' GLN . 58.4 m-85 -96.81 -7.17 34.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 70.44 110.758 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -87.49 131.82 34.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 75.13 110.366 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.96 -22.83 38.81 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.124 -0.56 . . . . 61.23 111.928 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -79.03 148.68 32.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.616 0.246 . . . . 74.22 110.447 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.2 m -87.18 158.75 19.07 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.1 -0.704 . . . . 74.4 109.1 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -52.24 -37.74 56.12 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.38 0.511 . . . . 71.43 112.38 -176.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -49.77 76.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.857 -0.423 . . . . 63.51 109.857 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -57.12 -45.76 83.2 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.885 -0.598 . . . . 71.2 110.123 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.804 HE22 ' HB3' ' A' ' 45' ' ' PHE . 13.4 mm100 -54.75 -47.5 73.78 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.119 -0.946 . . . . 70.33 110.637 177.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -63.86 -36.89 85.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.665 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.527 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 87.2 mtt180 -62.59 -54.85 33.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.731 0.3 . . . . 74.14 111.089 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.2 ptm -68.46 -33.86 74.94 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.581 -0.448 . . . . 75.15 110.837 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.436 ' HA ' HG11 ' A' ' 60' ' ' VAL . 27.5 mm -66.87 -41.44 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.778 0.323 . . . . 62.1 110.341 175.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -66.73 -31.83 72.74 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.995 -0.282 . . . . 75.23 110.874 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 55' ' ' ARG . 30.1 mmmt -80.06 -27.37 39.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.452 -0.499 . . . . 73.42 111.666 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.436 HG11 ' HA ' ' A' ' 57' ' ' ILE . 9.3 p -81.03 -23.56 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.368 0.604 . . . . 74.32 110.2 173.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.1 33.72 3.97 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.992 -0.744 . . . . 70.44 108.992 174.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -68.44 130.49 43.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.145 -0.934 . . . . 64.21 112.125 -171.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.65 -25.92 4.96 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.764 -0.653 . . . . 43.43 112.3 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.5 mt -100.94 -163.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.607 0.241 . . . . 64.45 110.708 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 65.22 110.636 177.401 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.8 tt . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 121.217 0.532 . . . . 52.42 110.497 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.47 -23.41 61.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.878 -0.601 . . . . 62.22 110.218 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.0 tt -136.41 134.68 49.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.34 -0.845 . . . . 73.11 109.111 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.549 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -140.59 163.35 33.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.771 -0.455 . . . . 75.12 109.771 -173.497 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.5 p -135.07 149.53 50.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.857 0.361 . . . . 71.51 111.18 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.962 -0.637 . . . . 44.31 112.132 179.653 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.449 ' O ' ' HB3' ' A' ' 8' ' ' GLN . 2.9 m . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 109.604 -0.517 . . . . 72.04 109.604 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.581 HE22 HG23 ' A' ' 26' ' ' VAL . 23.6 tt0 75.83 1.64 3.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.088 0.47 . . . . 72.35 111.234 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -64.74 -40.09 94.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.494 -0.321 . . . . 75.12 110.523 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -66.3 -38.68 88.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.395 -0.366 . . . . 65.43 110.293 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.523 HD13 HG22 ' A' ' 38' ' ' ILE . 3.4 tm? -61.36 -49.45 76.89 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.139 -0.482 . . . . 71.13 109.784 176.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -58.88 -45.5 90.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.617 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -56.59 -47.99 78.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.02 -0.536 . . . . 73.45 110.172 176.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.17 -50.98 71.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.924 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -63.66 -43.08 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 75.31 111.097 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -29.22 63.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.823 0.344 . . . . 75.13 110.741 -177.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.413 HD21 ' N ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -78.85 -28.44 44.25 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.832 -0.347 . . . . 71.44 110.186 178.606 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.33 -46.53 22.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.303 -0.408 . . . . 63.32 110.747 175.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.55 ' HZ ' HG13 ' A' ' 60' ' ' VAL . 54.1 m-85 -114.62 98.42 49.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 74.13 110.249 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -76.23 -10.83 19.34 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 122.549 2.166 . . . . 74.32 113.41 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.65 30.56 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.105 0.478 . . . . 73.54 110.453 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -113.27 139.28 48.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.102 -0.499 . . . . 74.4 112.175 -176.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -100.66 120.01 39.43 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.389 -0.967 . . . . 74.04 108.389 167.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 mt -88.73 110.49 21.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.082 -0.508 . . . . 75.31 110.883 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.475 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 33.1 m -109.67 105.58 14.9 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.71 -0.478 . . . . 61.44 109.71 176.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.581 HG23 HE22 ' A' ' 8' ' ' GLN . 18.5 m -86.87 128.24 39.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.237 0.541 . . . . 74.44 110.596 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.776 HG23 ' HB2' ' A' ' 37' ' ' SER . 2.0 t -111.22 119.31 38.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.525 0.679 . . . . 63.14 110.334 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.5 m -94.27 127.29 40.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.067 -0.97 . . . . 64.04 110.411 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mp -88.31 152.65 21.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.187 -0.46 . . . . 71.35 109.964 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.75 132.98 19.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.156 0.503 . . . . 73.4 111.209 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 33' ' ' ASN . . . 120.53 -50.62 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.88 -0.676 . . . . 63.24 112.259 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 69.99 -18.31 0.23 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.344 0.657 . . . . 71.24 112.496 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 31' ' ' GLY . 26.9 t-20 -68.14 -31.03 70.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.146 0.498 . . . . 73.15 110.055 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -82.32 -177.99 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.493 -0.776 . . . . 61.41 109.844 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.713 ' HB2' HE22 ' A' ' 70' ' ' GLN . 28.7 m-70 -86.44 172.33 10.45 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 121.003 -0.279 . . . . 63.31 110.508 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -103.85 163.45 12.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.277 -0.42 . . . . 71.31 110.094 -176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.776 ' HB2' HG23 ' A' ' 27' ' ' THR . 35.8 m -108.94 145.16 35.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.882 0.372 . . . . 63.0 110.24 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.523 HG22 HD13 ' A' ' 11' ' ' LEU . 20.2 pt -107.46 114.15 45.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.344 0.592 . . . . 73.4 111.069 -177.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 54.7 tttm -97.38 108.36 21.07 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.649 -0.871 . . . . 73.43 108.649 175.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.452 ' HB ' HG23 ' A' ' 73' ' ' THR . 54.0 t -105.36 116.52 49.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.953 -0.567 . . . . 63.22 110.659 -174.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 45.3 mm -94.73 108.41 20.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.998 -0.546 . . . . 73.31 110.242 178.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 15.0 m -137.63 145.61 42.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.078 -0.51 . . . . 71.22 109.923 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -59.52 -25.48 64.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.334 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -76.28 -13.15 60.17 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.342 -0.39 . . . . 53.44 111.563 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 53.5 m-85 -103.84 -6.66 21.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 70.44 111.475 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -71.48 116.51 11.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.088 0.47 . . . . 75.13 111.041 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.62 18.22 66.52 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.662 -0.699 . . . . 61.23 112.793 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -95.88 139.63 31.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.04 0.447 . . . . 74.22 111.404 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.4 m -83.55 172.68 12.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.541 -0.754 . . . . 74.4 109.974 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -64.5 -31.98 73.42 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 112.146 0.425 . . . . 71.43 112.146 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.02 -47.27 85.5 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.248 -0.649 . . . . 63.51 109.248 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.43 -42.08 99.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.189 -0.914 . . . . 71.2 110.019 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' O ' HG12 ' A' ' 57' ' ' ILE . 82.3 mm-40 -58.11 -45.82 86.62 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.919 -0.582 . . . . 70.33 110.444 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -54.66 -52.33 62.68 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.423 -0.353 . . . . 75.33 110.398 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -54.67 -54.42 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 74.14 110.944 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.8 mmm -61.34 -53.55 55.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.658 -0.701 . . . . 75.15 111.38 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 53' ' ' GLN . 33.7 mm -61.45 -48.79 87.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.559 -0.291 . . . . 62.1 111.231 -176.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -68.29 -32.15 72.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.605 -0.438 . . . . 75.23 111.628 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 25.5 mmtm -80.73 -32.01 35.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.473 0.545 . . . . 73.42 112.473 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.55 HG13 ' HZ ' ' A' ' 19' ' ' PHE . 9.9 p -81.06 -31.07 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.646 -0.421 . . . . 74.32 110.871 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -86.33 -13.26 47.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.137 -0.32 . . . . 70.44 110.137 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 73.28 -56.32 0.66 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.163 0.915 . . . . 64.21 112.02 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -91.67 112.66 4.21 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 115.192 -0.913 . . . . 43.43 112.224 -176.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.724 HD23 ' H ' ' A' ' 64' ' ' LEU . 2.2 pt? -77.54 2.96 14.78 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.919 0.39 . . . . 64.45 110.689 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 65.22 111.034 178.276 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.475 ' O ' HG12 ' A' ' 69' ' ' ILE . 11.3 tt . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 121.514 0.673 . . . . 52.42 112.515 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.713 HE22 ' HB2' ' A' ' 35' ' ' HIS . 94.5 mt-30 -129.07 16.75 6.18 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.626 -0.671 . . . . 62.22 110.899 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 tp -97.28 125.23 50.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.095 -0.502 . . . . 73.11 109.824 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.522 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 41.5 mt-30 -123.29 108.19 12.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.088 0.471 . . . . 75.12 109.733 173.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.452 HG23 ' HB ' ' A' ' 40' ' ' VAL . 1.6 p -135.47 141.07 45.3 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.85 -0.614 . . . . 71.51 110.583 -176.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.797 0 C-N-CA 120.121 -1.037 . . . . 44.31 112.961 177.548 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 110.225 -0.287 . . . . 72.04 110.225 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.33 111.4 23.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.757 -0.46 . . . . 72.35 109.757 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -52.06 -52.34 51.75 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.411 -0.813 . . . . 75.12 112.005 -173.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.03 -50.22 74.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.734 0.302 . . . . 65.43 111.732 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.75 -45.97 84.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.929 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' HG3' HG22 ' A' ' 24' ' ' ILE . 21.8 tt0 -67.0 -44.01 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.828 0.346 . . . . 75.31 110.24 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.51 -38.65 72.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.568 . . . . 73.45 110.383 177.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.25 -49.29 78.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 72.01 110.176 178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.7 mt -66.89 -38.93 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.008 -0.542 . . . . 75.31 110.745 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 16' ' ' ARG . 10.0 mmm180 -62.64 -36.6 83.35 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.883 0.373 . . . . 75.13 111.408 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -75.59 -41.26 55.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 71.44 110.953 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.89 -52.57 23.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 63.32 111.187 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -137.45 93.1 12.94 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 74.13 109.753 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.26 -26.94 71.91 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.463 2.109 . . . . 74.32 111.898 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.96 11.97 32.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.709 -0.678 . . . . 73.54 111.368 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.23 143.08 29.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.499 -0.319 . . . . 74.4 110.722 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.72 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 40.5 tt0 -81.35 110.58 16.93 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.955 -0.387 . . . . 74.04 109.955 177.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.403 HG22 ' HG3' ' A' ' 12' ' ' GLU . 53.8 mt -101.04 110.88 29.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.097 -0.502 . . . . 75.31 109.956 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.8 m -123.41 112.8 17.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.102 0.477 . . . . 61.44 110.569 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 m -83.18 114.33 23.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.204 0.526 . . . . 74.44 110.06 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.789 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 21.0 m -93.84 105.59 17.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.031 -0.531 . . . . 63.14 109.942 -177.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -91.63 101.09 13.71 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.429 -0.805 . . . . 64.04 110.402 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -137.7 142.13 41.06 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.939 -0.763 . . . . 71.35 108.939 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -167.73 114.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.516 0.674 . . . . 73.4 111.608 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.39 -53.24 0.46 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 109.526 -1.43 . . . . 63.24 109.526 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -95.14 149.12 21.64 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.103 -1.073 . . . . 71.24 108.103 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -64.07 101.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.111 0.482 . . . . 73.15 111.728 -174.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -145.31 -169.43 3.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.818 -0.808 . . . . 61.41 108.818 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -89.82 -176.67 5.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.274 -0.269 . . . . 63.31 110.274 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -103.52 168.17 9.33 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.135 -0.321 . . . . 71.31 110.135 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.789 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 8.2 t -101.39 130.05 47.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.022 0.439 . . . . 63.0 110.945 -173.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.1 mt -100.07 104.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.067 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.644 ' HD3' HG12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -93.7 112.89 24.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.694 -0.484 . . . . 73.43 109.694 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -118.85 113.26 41.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.065 -0.516 . . . . 63.22 110.55 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.72 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 44.3 mm -100.16 111.55 30.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.16 0.505 . . . . 73.31 110.07 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -143.29 126.55 16.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.542 -0.754 . . . . 71.22 109.55 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 m -65.28 -9.55 25.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.087 0.47 . . . . 73.12 111.55 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -88.37 -1.42 58.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.24 -0.436 . . . . 53.44 111.577 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.82 -11.28 59.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.237 0.541 . . . . 70.44 110.023 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -98.77 143.75 28.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.416 -0.811 . . . . 75.13 109.573 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.71 -6.23 60.5 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.617 -0.801 . . . . 61.23 112.169 -177.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -101.39 141.71 33.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.713 -0.477 . . . . 74.22 109.713 173.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -60.75 157.69 14.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.898 -0.592 . . . . 74.4 111.329 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 14.0 ttmm -54.39 -45.05 72.8 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.853 -0.612 . . . . 71.43 110.26 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.53 -42.72 97.08 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.723 -0.671 . . . . 63.51 111.317 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -66.15 -38.46 88.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.135 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -60.97 -47.55 85.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 70.33 109.928 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' HIS . . . . . 0.405 ' CE1' ' HG2' ' A' ' 50' ' ' LYS . 38.4 m80 -63.47 -33.81 76.39 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.282 -0.417 . . . . 75.33 110.383 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -50.25 69.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.776 -0.647 . . . . 74.14 110.716 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.8 ptm -70.23 -33.6 71.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.505 -0.316 . . . . 75.15 110.889 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.87 -43.25 98.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.203 0.525 . . . . 62.1 109.741 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 62' ' ' ASP . 31.1 t80 -61.39 -36.67 80.93 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.678 -0.692 . . . . 75.23 110.984 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -68.71 -46.57 68.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.348 0.499 . . . . 73.42 112.348 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.51 HG11 ' HG ' ' A' ' 61' ' ' LEU . 11.1 p -74.85 -36.3 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 112.179 0.437 . . . . 74.32 112.179 -173.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.631 HD12 ' HB ' ' A' ' 71' ' ' ILE . 70.1 mt -106.19 -19.53 13.68 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.324 0.49 . . . . 70.44 112.324 -176.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 30.7 t70 55.45 74.64 0.36 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.569 0.699 . . . . 64.21 109.511 -170.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.03 92.49 0.31 Allowed Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.378 -0.915 . . . . 43.43 113.228 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.7 mt -82.64 -2.79 54.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.671 0.748 . . . . 64.45 109.222 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 114.776 -1.102 . . . . 65.22 108.783 174.175 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.827 0.346 . . . . 52.42 110.337 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -79.29 -14.47 59.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.381 0.61 . . . . 62.22 110.254 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.631 ' HB ' HD12 ' A' ' 61' ' ' LEU . 8.0 tp -127.69 134.1 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.792 -0.64 . . . . 73.11 109.922 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . 6.2 tp-100 -127.86 108.56 10.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.215 0.531 . . . . 75.12 110.299 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 p -141.9 119.93 12.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.495 -0.775 . . . . 71.51 109.979 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.573 0 C-N-CA 120.746 -0.74 . . . . 44.31 111.85 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo . . . . . 0 N--CA 1.479 0.655 0 N-CA-C 110.776 -0.509 . . . . 72.44 110.776 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.54 -110.27 4.0 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.998 -0.62 . . . . 35.53 112.095 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 m -78.16 95.08 4.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.849 0.356 . . . . 54.01 110.722 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.824 ' HE1' ' HA ' ' A' ' 4' ' ' MET . 19.0 mmt -73.0 -33.33 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.289 -0.634 . . . . 73.21 109.289 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.6 m -94.12 109.71 21.47 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.528 -0.916 . . . . 71.41 108.528 170.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.437 HG22 ' HB3' ' A' ' 9' ' ' SER . 28.4 m -87.29 141.5 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.147 0.499 . . . . 75.41 111.722 -172.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -83.42 158.67 22.0 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.88 -0.785 . . . . 72.04 108.88 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 59.07 28.18 17.37 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.416 0.627 . . . . 72.35 109.749 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.437 ' HB3' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -59.68 -38.99 83.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.027 -0.988 . . . . 75.12 111.648 -176.557 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -65.48 -35.21 80.2 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.126 -0.23 . . . . 65.43 110.57 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -67.41 -48.81 66.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.367 . . . . 71.13 110.227 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.509 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -59.06 -54.35 48.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.607 -0.724 . . . . 75.31 109.627 178.037 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.08 -43.2 99.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.331 -0.849 . . . . 73.45 111.979 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.83 -50.83 71.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.625 0.25 . . . . 72.01 111.173 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.406 HD11 HD13 ' A' ' 38' ' ' ILE . 56.5 mt -72.29 -35.5 52.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.427 -0.351 . . . . 75.31 110.711 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -63.86 -38.15 90.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.021 0.438 . . . . 75.13 110.812 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -83.6 -32.65 25.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.435 . . . . 71.44 111.329 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.91 -47.18 66.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 63.32 110.316 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -124.9 101.88 32.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.546 -0.538 . . . . 74.13 109.546 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -62.09 -26.27 78.04 Favored 'Trans proline' 0 CA--C 1.526 0.08 0 C-N-CA 122.791 2.327 . . . . 74.32 112.321 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -96.57 15.98 20.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 73.54 110.951 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.63 131.81 46.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.379 . . . . 74.4 111.09 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.583 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 10.1 tp10 -97.96 114.87 27.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.762 -0.653 . . . . 74.04 109.491 175.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.509 HG21 ' HA ' ' A' ' 12' ' ' GLU . 3.4 mp -88.29 111.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.058 0.456 . . . . 75.31 109.889 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 32.1 m -110.34 124.18 51.21 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.748 -0.464 . . . . 61.44 109.748 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 m -83.12 120.74 34.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.162 0.505 . . . . 74.44 110.268 177.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.564 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 19.2 m -93.46 105.18 17.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.252 0.548 . . . . 63.14 109.733 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.9 p -108.57 117.9 35.39 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.596 -0.729 . . . . 64.04 110.976 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.15 135.94 44.74 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.435 -0.95 . . . . 71.35 108.435 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.28 87.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.219 0.533 . . . . 73.4 110.688 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.68 118.25 0.9 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.19 -0.914 . . . . 63.24 111.262 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.9 76.21 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.265 0.555 . . . . 71.24 111.441 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.55 -43.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.296 -0.865 . . . . 73.15 109.412 175.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -89.6 157.51 18.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.371 -0.832 . . . . 61.41 110.757 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -75.31 154.86 37.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 63.31 109.967 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -103.76 134.95 46.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.272 -0.422 . . . . 71.31 110.237 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.564 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 12.7 m -91.66 165.5 13.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.84 -0.618 . . . . 63.0 110.714 -172.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.406 HD13 HD11 ' A' ' 15' ' ' ILE . 17.5 tt -118.23 126.73 75.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.623 -0.51 . . . . 73.4 109.623 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.472 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 76.5 tttt -108.45 116.99 33.01 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.957 -0.565 . . . . 73.43 110.149 -175.084 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.08 104.98 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.092 -0.503 . . . . 63.22 110.737 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.583 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 45.0 mm -98.25 96.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.487 -0.56 . . . . 73.31 109.487 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.4 t -140.08 134.74 31.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.114 0.483 . . . . 71.22 111.06 -176.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 p -63.07 -18.71 63.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.546 -0.752 . . . . 73.12 111.408 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.38 -23.08 67.16 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.849 0.357 . . . . 53.44 110.727 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -101.35 -4.14 27.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 70.44 111.099 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -84.81 136.57 33.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.07 0.462 . . . . 75.13 110.521 -174.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.09 -28.18 15.81 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.8 -0.92 . . . . 61.23 110.8 -174.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.788 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.2 mmpt? -72.55 139.35 47.46 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.466 -0.367 . . . . 74.22 110.507 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.9 m -74.9 166.7 23.21 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.442 -0.577 . . . . 74.4 109.442 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -56.59 -35.37 68.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.944 -0.302 . . . . 71.43 111.379 -177.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.526 ' H ' HD23 ' A' ' 51' ' ' LEU . 2.3 mm? -64.25 -45.17 89.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 63.51 109.989 -178.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -61.67 -45.61 93.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.61 -0.723 . . . . 71.2 110.098 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.533 ' O ' HG13 ' A' ' 57' ' ' ILE . 89.0 mt-30 -61.69 -43.5 98.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 70.33 110.849 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -58.8 -46.43 87.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.666 0.27 . . . . 75.33 110.385 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -60.34 -41.53 93.8 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.341 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.402 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 93.3 mmm -66.61 -34.49 78.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 120.709 -0.397 . . . . 75.15 110.359 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.533 HG13 ' O ' ' A' ' 53' ' ' GLN . 73.7 mt -62.42 -42.62 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.594 -0.521 . . . . 62.1 109.594 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -61.68 -31.79 71.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.064 -0.517 . . . . 75.23 111.062 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.742 ' HZ2' ' HB3' ' A' ' 59' ' ' LYS . 3.6 mmmp? -65.47 -57.16 8.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.76 0.314 . . . . 73.42 110.871 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.432 HG12 ' CD2' ' A' ' 61' ' ' LEU . 6.6 p -69.9 -38.68 76.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 116.412 -0.358 . . . . 74.32 111.649 -175.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.432 ' CD2' HG12 ' A' ' 60' ' ' VAL . 3.8 mm? -101.65 37.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.593 0.235 . . . . 70.44 110.97 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.46 -14.17 38.18 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.306 0.484 . . . . 64.21 112.306 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.92 -16.29 76.45 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.942 -0.647 . . . . 43.43 112.792 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -137.19 147.45 45.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 64.45 110.509 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -79.12 94.48 5.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.142 0.496 . . . . 65.22 110.029 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.9 mm -72.59 97.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 65.41 111.534 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -123.74 20.08 9.37 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.359 -0.608 . . . . 73.33 109.359 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.56 149.38 50.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.373 -0.83 . . . . 64.03 110.067 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.75 100.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.167 0.508 . . . . 52.42 110.71 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -129.67 -41.53 1.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.675 -0.693 . . . . 62.22 109.792 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 tt -113.44 121.51 65.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.511 -0.768 . . . . 73.11 110.274 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 68.8 mt-30 -111.55 125.73 54.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 75.12 110.295 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 m -100.06 162.58 12.89 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.837 -0.62 . . . . 71.51 110.204 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.0 85.93 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.055 -0.593 . . . . 44.31 112.436 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.87 118.64 22.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.645 -0.502 . . . . 54.21 109.645 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.947 -0.549 . . . . 72.44 110.397 -177.295 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo . . . . . 0 N--CA 1.479 0.644 0 N-CA-C 110.332 -0.68 . . . . 72.44 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.85 103.97 0.22 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.562 -0.828 . . . . 35.53 112.43 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -80.39 -32.28 37.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.324 0.583 . . . . 54.01 109.759 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.8 mtt -105.91 108.64 20.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.369 -0.832 . . . . 73.21 110.247 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 m -85.96 109.78 19.0 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.097 0.475 . . . . 71.41 110.918 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -124.27 155.37 31.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 75.41 109.439 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 p -93.86 159.17 15.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.691 -0.231 . . . . 72.04 111.446 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.418 ' HA ' HE22 ' A' ' 10' ' ' GLN . 95.0 mt-30 67.3 23.17 9.38 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.764 -0.653 . . . . 72.35 111.932 174.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -66.1 -32.2 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.99 0.424 . . . . 75.12 110.281 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.418 HE22 ' HA ' ' A' ' 8' ' ' GLN . 5.4 pm0 -72.5 -27.22 62.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.129 -0.487 . . . . 65.43 110.007 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -71.67 -46.19 59.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.967 -0.753 . . . . 71.13 108.967 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' OE2' ' HD3' ' A' ' 16' ' ' ARG . 3.1 tm-20 -57.9 -53.77 54.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.448 -0.796 . . . . 75.31 109.356 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.85 -40.86 76.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.509 -0.769 . . . . 73.45 111.221 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.1 tp -56.86 -50.9 71.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.612 -0.267 . . . . 72.01 110.823 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.704 HG22 HG12 ' A' ' 24' ' ' ILE . 42.6 mm -70.95 -37.88 69.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.871 0.367 . . . . 75.31 110.336 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.522 ' HD2' HD11 ' A' ' 24' ' ' ILE . 1.2 tpt180 -64.53 -35.55 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 75.13 111.057 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.423 ' N ' HD21 ' A' ' 17' ' ' ASN . 0.9 OUTLIER -83.79 -33.62 24.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.01 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -43.02 71.94 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.374 -0.376 . . . . 63.32 110.548 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -127.81 80.45 72.01 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 74.13 110.339 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.41 -10.86 19.03 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.359 2.039 . . . . 74.32 111.86 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -99.63 30.49 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.603 -0.726 . . . . 73.54 109.508 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 42' ' ' SER . . . -137.61 155.96 48.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.757 -0.656 . . . . 74.4 111.145 -177.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.423 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 1.1 mm-40 -94.5 99.01 11.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.885 -0.598 . . . . 74.04 109.741 172.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.704 HG12 HG22 ' A' ' 15' ' ' ILE . 3.5 mp -88.15 117.45 31.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.752 -0.658 . . . . 75.31 110.424 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.448 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 24.9 m -117.73 121.54 41.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 61.44 109.956 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.9 107.6 21.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.392 . . . . 74.44 110.419 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 17.0 m -101.83 138.36 38.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.053 -0.522 . . . . 63.14 110.652 -178.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -93.83 123.47 37.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.284 -0.265 . . . . 64.04 110.284 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 8.7 mp -113.18 116.38 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.955 0.407 . . . . 71.35 111.051 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -101.13 97.4 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.351 0.596 . . . . 73.4 110.409 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.44 -148.04 4.99 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.736 -0.745 . . . . 63.24 111.794 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.18 -51.92 67.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.963 0.411 . . . . 71.24 110.767 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -117.35 131.1 56.85 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.967 -0.753 . . . . 73.15 108.967 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -83.22 97.83 9.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.603 0.716 . . . . 61.41 111.123 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 4.1 m-70 -127.58 155.45 43.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.261 -0.881 . . . . 63.31 109.564 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -103.87 140.63 37.4 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.534 -0.543 . . . . 71.31 109.534 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.708 ' HA ' ' HG3' ' A' ' 70' ' ' GLN . 16.8 t -89.26 124.01 34.0 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.937 -0.394 . . . . 63.0 109.937 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.71 99.58 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.109 -0.7 . . . . 73.4 109.109 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 51.9 mtpt -95.46 111.83 23.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.052 -0.522 . . . . 73.43 109.642 -178.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.1 t -113.56 104.31 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.99 -0.55 . . . . 63.22 110.176 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.892 HD13 ' HB2' ' A' ' 75' ' ' CYS . 40.4 mm -95.84 111.55 26.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.02 -0.536 . . . . 73.31 110.304 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.464 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . 32.5 t -158.56 142.57 15.52 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.383 -0.371 . . . . 71.22 110.757 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.475 ' HA ' ' HB3' ' A' ' 46' ' ' GLN . 49.6 m -68.81 -5.84 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 73.12 111.37 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -75.79 -18.16 59.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 53.44 110.296 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -104.9 -10.63 17.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.616 0.722 . . . . 70.44 109.579 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.475 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 62.6 tt0 -83.62 124.36 30.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.087 -0.96 . . . . 75.13 109.785 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.98 -23.49 35.81 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.653 -0.784 . . . . 61.23 111.439 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -76.4 144.79 39.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.093 -0.336 . . . . 74.22 110.093 175.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 t -70.12 155.92 39.93 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.872 -0.418 . . . . 74.4 109.872 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -52.56 -47.09 67.01 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.45 -0.341 . . . . 71.43 111.176 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.58 -43.27 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.184 -0.462 . . . . 63.51 110.537 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.09 -50.21 73.48 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.97 0.414 . . . . 71.2 110.479 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.496 ' O ' HG13 ' A' ' 57' ' ' ILE . 73.3 mt-30 -57.61 -47.65 81.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.389 -0.823 . . . . 70.33 110.705 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.401 ' HA ' HD13 ' A' ' 57' ' ' ILE . 29.7 m170 -65.8 -37.73 87.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 75.33 110.791 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -58.58 -49.39 77.64 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.332 -0.395 . . . . 74.14 110.567 174.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 75.2 mtm -61.49 -42.27 98.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 75.15 111.018 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.713 HD12 HG21 ' A' ' 71' ' ' ILE . 37.4 mt -62.52 -46.38 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.198 0.523 . . . . 62.1 110.216 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -63.19 -31.88 73.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 75.23 111.099 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -81.04 -43.27 19.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.533 -0.303 . . . . 73.42 111.711 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.417 HG11 ' HA ' ' A' ' 57' ' ' ILE . 9.8 p -70.43 -32.97 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.973 0.416 . . . . 74.32 110.909 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -86.83 -16.68 35.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.369 . . . . 70.44 110.511 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.97 22.9 13.07 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.724 -0.671 . . . . 64.21 111.751 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.59 -128.31 3.45 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.958 -0.639 . . . . 43.43 111.724 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp 66.94 11.07 8.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.988 0.515 . . . . 64.45 111.238 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -103.19 101.15 11.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.965 0.412 . . . . 65.22 110.387 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.7 mt -81.51 -37.25 15.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.833 -0.803 . . . . 65.41 108.833 173.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -166.92 -54.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.516 -1.22 . . . . 73.33 108.386 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -118.66 147.86 43.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.005 -0.998 . . . . 64.03 109.674 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.555 ' HB ' HG23 ' A' ' 71' ' ' ILE . 31.7 mt -98.78 -30.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.764 0.316 . . . . 52.42 110.199 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.708 ' HG3' ' HA ' ' A' ' 37' ' ' SER . 5.8 tp-100 70.18 27.6 4.16 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.939 0.876 . . . . 62.22 109.987 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.713 HG21 HD12 ' A' ' 57' ' ' ILE . 17.1 tt -98.64 132.27 44.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.123 -0.944 . . . . 73.11 110.328 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -110.86 108.54 18.38 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.11 -0.7 . . . . 75.12 109.11 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.413 HG23 HG12 ' A' ' 71' ' ' ILE . 3.3 p -106.67 120.13 41.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.189 0.519 . . . . 71.51 111.935 -176.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.2 151.33 26.54 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.841 -0.695 . . . . 44.31 112.906 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.892 ' HB2' HD13 ' A' ' 41' ' ' ILE . 53.3 t -133.99 133.24 41.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.621 -0.511 . . . . 54.21 109.621 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.665 -0.684 . . . . 72.44 109.635 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.479 0.668 0 N-CA-C 110.902 -0.461 . . . . 72.44 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.75 -54.3 7.48 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.99 -0.624 . . . . 35.53 111.743 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -102.95 -173.2 2.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.616 -0.513 . . . . 54.01 109.616 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -79.63 76.3 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.021 0.439 . . . . 73.21 110.661 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.7 p -76.08 109.82 10.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.096 -0.502 . . . . 71.41 110.316 177.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.44 177.33 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.987 -0.552 . . . . 75.41 110.497 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.474 ' HB ' HG12 ' A' ' 26' ' ' VAL . 10.4 t -112.77 167.79 10.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.405 -0.591 . . . . 72.04 109.405 176.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -61.57 124.73 21.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.056 0.455 . . . . 72.35 110.095 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 p -52.01 -43.22 63.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.062 -0.972 . . . . 75.12 111.886 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.47 -46.69 81.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 65.43 111.5 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.5 mt -62.33 -46.35 89.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 71.13 110.824 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.01 -54.05 46.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.817 -0.629 . . . . 75.31 110.156 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -42.91 82.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.592 -0.731 . . . . 73.45 111.135 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.72 -50.81 69.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.092 -0.504 . . . . 72.01 110.726 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.1 mm -66.84 -39.05 82.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.138 -0.483 . . . . 75.31 111.0 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -67.39 -39.27 85.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.642 -0.254 . . . . 75.13 111.481 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -78.85 -39.19 36.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.676 -0.238 . . . . 71.44 111.47 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.04 -37.69 69.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 63.32 110.779 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.4 84.31 63.59 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 74.13 110.823 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.09 -19.79 44.81 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.393 2.062 . . . . 74.32 111.176 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -93.38 12.19 25.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.197 -0.91 . . . . 73.54 110.678 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.85 148.38 32.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 74.4 111.24 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 8.7 tp10 -97.03 114.82 26.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.654 -0.703 . . . . 74.04 109.748 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.7 mt -93.48 110.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.801 0.334 . . . . 75.31 110.119 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.515 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 8.7 m -104.0 120.72 41.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.288 -0.414 . . . . 61.44 109.948 176.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.474 HG12 ' HB ' ' A' ' 7' ' ' THR . 59.7 t -82.98 115.67 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.047 0.451 . . . . 74.44 110.223 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.647 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 21.5 m -107.9 120.02 41.1 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.859 -0.61 . . . . 63.14 110.223 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -78.24 103.76 8.39 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.427 -0.806 . . . . 64.04 109.863 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.0 tp -66.27 111.43 3.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.32 -0.854 . . . . 71.35 110.231 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.92 129.33 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.856 -0.611 . . . . 73.4 110.483 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.64 -11.66 4.29 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.865 -0.894 . . . . 63.24 110.865 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 61.57 90.15 0.07 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.289 0.636 . . . . 71.24 111.163 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -159.62 150.68 19.59 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.826 -0.805 . . . . 73.15 108.826 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -64.3 -16.76 62.77 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.352 0.596 . . . . 61.41 110.538 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -85.1 103.18 13.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.493 -0.558 . . . . 63.31 109.493 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -109.78 174.33 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.578 -0.283 . . . . 71.31 110.429 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.647 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 19.9 m -103.33 120.97 41.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.966 0.412 . . . . 63.0 110.959 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 70' ' ' GLN . 26.7 pt -101.18 117.59 46.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.254 0.549 . . . . 73.4 110.289 173.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.515 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 53.4 mtmt -89.37 108.73 19.8 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.713 -0.477 . . . . 73.43 109.713 176.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -95.24 104.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.216 -0.902 . . . . 63.22 109.96 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.589 HG12 ' HA3' ' A' ' 74' ' ' GLY . 42.4 mt -102.8 136.0 37.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.949 -0.569 . . . . 73.31 110.185 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.5 t -162.29 147.67 12.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.827 -0.624 . . . . 71.22 110.301 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 p -63.14 -19.03 64.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.852 -0.613 . . . . 73.12 110.992 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.79 -16.77 62.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.334 -0.394 . . . . 53.44 110.968 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -96.79 7.0 47.59 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.095 0.474 . . . . 70.44 110.423 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.623 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 35.9 tt0 -85.26 131.94 34.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.999 -0.546 . . . . 75.13 109.837 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.54 -2.77 76.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.976 -0.63 . . . . 61.23 112.793 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -90.79 152.83 20.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.866 0.365 . . . . 74.22 110.547 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 p -82.58 144.49 30.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.852 -0.613 . . . . 74.4 110.567 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -58.09 -34.49 70.21 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.265 -0.425 . . . . 71.43 111.632 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.3 mt -55.36 -53.84 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.51 110.792 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.06 -44.08 78.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.664 -0.698 . . . . 71.2 111.396 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.479 ' O ' HG13 ' A' ' 57' ' ' ILE . 70.4 mt-30 -61.54 -47.25 86.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 70.33 111.069 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -64.17 -40.19 95.6 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.992 -0.373 . . . . 75.33 109.992 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -56.83 -48.33 78.29 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.978 -0.555 . . . . 74.14 110.941 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 90.5 mtp -62.13 -38.52 89.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.679 -0.691 . . . . 75.15 110.249 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 53' ' ' GLN . 67.6 mt -58.96 -52.3 62.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 62.1 110.912 176.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -58.8 -38.39 78.48 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.081 0.467 . . . . 75.23 110.622 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.412 ' HE2' ' HB3' ' A' ' 59' ' ' LYS . 36.6 ttpt -64.21 -49.26 72.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.706 -0.679 . . . . 73.42 111.487 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.4 t -81.97 -43.19 19.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.449 -0.341 . . . . 74.32 111.875 -174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 4.2 mm? -79.9 -23.8 41.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.73 0.271 . . . . 70.44 111.73 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.453 ' HB3' ' O ' ' A' ' 61' ' ' LEU . 6.8 t70 75.38 -47.56 0.6 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.371 0.668 . . . . 64.21 112.053 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.98 95.88 0.5 Allowed Glycine 0 C--N 1.311 -0.828 0 CA-C-N 115.356 -0.838 . . . . 43.43 112.403 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.0 pp -86.47 12.99 9.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.201 0.524 . . . . 64.45 111.03 178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -75.72 99.22 4.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 65.22 109.456 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.8 pt -81.9 20.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.828 -0.623 . . . . 65.41 112.637 -170.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -68.43 -38.46 81.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.48 -0.563 . . . . 73.33 109.48 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -130.1 110.67 11.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.671 -0.695 . . . . 64.03 110.348 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.2 mm -76.64 106.39 6.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.324 -0.398 . . . . 52.42 110.061 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.412 ' O ' HG12 ' A' ' 38' ' ' ILE . 27.3 mt-30 -82.24 -30.63 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.075 -0.511 . . . . 62.22 111.332 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.8 tt -137.13 132.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.116 0.484 . . . . 73.11 111.17 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.515 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 51.1 tt0 -126.11 125.05 41.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.575 -0.739 . . . . 75.12 109.435 176.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -88.44 134.92 33.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.825 0.345 . . . . 71.51 111.585 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.589 ' HA3' HG12 ' A' ' 41' ' ' ILE . . . -75.28 88.74 0.8 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.765 -0.731 . . . . 44.31 111.618 176.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.401 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 36.2 t -80.68 134.38 35.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.832 0.348 . . . . 54.21 111.521 -175.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.623 ' HB2' ' HA ' ' A' ' 46' ' ' GLN . 3.9 mptp? . . . . . 0 C--O 1.246 0.872 0 N-CA-C 109.001 -0.74 . . . . 72.44 109.001 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 N--CA 1.475 0.403 0 N-CA-C 110.899 -0.462 . . . . 72.44 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.84 -48.44 5.81 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.643 -0.789 . . . . 35.53 112.188 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -83.54 118.87 24.08 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.383 -0.229 . . . . 54.01 110.383 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 85.7 mtp -86.57 -9.3 56.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 73.21 110.552 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -74.95 109.77 8.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.299 0.571 . . . . 71.41 111.412 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 m -119.38 -179.84 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.449 -0.796 . . . . 75.41 110.112 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 p -87.64 158.84 18.76 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.299 -0.26 . . . . 72.04 110.299 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 63.84 24.58 13.79 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.312 0.383 . . . . 72.35 111.762 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 m -60.74 -32.3 71.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.408 -0.36 . . . . 75.12 111.079 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -66.7 -32.98 74.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 65.43 110.363 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.33 -44.22 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.103 -0.703 . . . . 71.13 109.103 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -54.38 -51.66 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.588 -0.733 . . . . 75.31 110.275 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.5 -40.12 90.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 73.45 111.331 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.99 -46.4 89.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 72.01 110.852 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.429 ' HB ' HD13 ' A' ' 24' ' ' ILE . 61.3 mt -66.15 -35.75 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.549 -0.296 . . . . 75.31 110.626 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HG2' ' CD1' ' A' ' 24' ' ' ILE . 12.0 mmm180 -68.17 -29.27 68.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.607 0.241 . . . . 75.13 111.558 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -74.73 -41.82 59.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.737 0.304 . . . . 71.44 110.569 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.29 -53.28 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.466 . . . . 63.32 110.986 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -118.86 90.62 41.09 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.029 -0.532 . . . . 74.13 109.716 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.31 -1.03 11.01 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.937 2.425 . . . . 74.32 113.087 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -117.73 13.3 14.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.104 0.478 . . . . 73.54 110.412 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' CB ' ' HB2' ' A' ' 42' ' ' SER . . . -97.24 133.43 41.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.904 -0.589 . . . . 74.4 111.575 -176.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 42.4 mt-10 -85.53 111.9 20.44 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.084 -0.71 . . . . 74.04 109.084 172.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.429 HD13 ' HB ' ' A' ' 15' ' ' ILE . 22.6 mt -91.55 129.87 41.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.946 -0.57 . . . . 75.31 110.254 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.525 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 33.9 m -135.37 105.32 6.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.0 0.429 . . . . 61.44 110.132 172.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.81 119.47 36.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.565 0.697 . . . . 74.44 110.018 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.906 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 21.0 m -95.87 105.47 17.49 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.501 -0.772 . . . . 63.14 110.319 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -83.46 106.03 14.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.892 -0.595 . . . . 64.04 110.556 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.39 107.89 3.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.484 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -67.06 140.42 19.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 73.4 110.216 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.62 -58.25 0.41 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.395 -0.682 . . . . 63.24 111.395 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -148.03 117.39 6.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.958 0.408 . . . . 71.24 109.936 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.0 36.01 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.919 -0.582 . . . . 73.15 111.672 -172.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -68.01 -16.61 64.12 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.026 0.441 . . . . 61.41 110.577 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -149.57 142.81 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 63.31 110.679 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -120.61 127.18 51.87 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.69 -0.856 . . . . 71.31 108.69 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.906 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 20.7 m -76.48 118.44 19.15 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.224 -0.59 . . . . 63.0 109.681 -178.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -99.95 100.03 9.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.943 0.401 . . . . 73.4 110.064 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.525 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 87.9 tttt -92.62 110.86 22.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.673 . . . . 73.43 110.099 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -111.18 105.87 19.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.004 -0.544 . . . . 63.22 110.448 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.45 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 50.3 mm -101.71 105.31 17.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.165 -0.471 . . . . 73.31 109.888 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.416 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . 45.5 t -144.02 147.63 34.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.412 -0.358 . . . . 71.22 110.804 -177.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 m -65.23 -15.86 62.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.324 0.583 . . . . 73.12 110.19 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.84 -4.84 37.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.733 . . . . 53.44 110.774 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -116.53 9.28 14.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 70.44 110.335 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -117.15 136.67 52.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.535 . . . . 75.13 110.172 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.21 -2.29 37.03 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.023 -0.608 . . . . 61.23 112.504 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.76 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.6 mmpt? -78.34 -178.87 5.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.129 0.49 . . . . 74.22 111.143 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 m -104.49 144.33 31.81 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.509 -0.552 . . . . 74.4 109.509 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -52.32 -38.61 58.99 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.354 0.409 . . . . 71.43 111.821 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.14 -49.37 71.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.406 -0.361 . . . . 63.51 110.742 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -57.78 -45.53 85.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.59 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -61.56 -47.39 85.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.742 -0.663 . . . . 70.33 111.148 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -59.56 -46.41 88.99 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.879 -0.415 . . . . 75.33 109.879 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -57.19 -50.03 74.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.779 -0.646 . . . . 74.14 111.49 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 73.1 mtm -62.81 -49.49 74.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 75.15 111.321 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.558 HG22 HD12 ' A' ' 71' ' ' ILE . 60.2 mt -64.46 -39.09 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.065 0.459 . . . . 62.1 110.355 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -65.29 -31.91 73.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 75.23 110.517 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 46.6 tptt -78.67 -39.54 36.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.31 -0.405 . . . . 73.42 111.266 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 ' HA ' ' A' ' 57' ' ' ILE . 32.3 m -73.92 -27.75 22.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.429 -0.508 . . . . 74.32 110.644 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 61' ' ' LEU . 3.8 mm? -90.74 27.32 1.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 70.44 110.546 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.84 -34.57 76.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 64.21 110.983 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.33 50.74 1.43 Allowed Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.423 -0.808 . . . . 43.43 111.672 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.2 152.36 41.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.05 0.452 . . . . 64.45 110.979 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -130.47 -170.21 2.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.875 -0.602 . . . . 65.22 109.57 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.6 tp -83.09 70.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 122.128 0.966 . . . . 65.41 111.271 -177.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -148.27 -176.74 5.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.155 -0.93 . . . . 73.33 109.37 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.83 153.55 18.78 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.718 0.294 . . . . 64.03 110.97 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.1 pt -68.23 149.9 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 52.42 110.281 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -145.78 28.69 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 62.22 111.791 -172.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.558 HD12 HG22 ' A' ' 57' ' ' ILE . 17.5 tt -101.56 127.21 55.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.182 0.515 . . . . 73.11 111.153 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.435 ' HB2' ' HA ' ' A' ' 39' ' ' LYS . 93.3 mt-30 -120.11 117.5 28.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.944 -0.571 . . . . 75.12 109.875 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.0 p -119.48 148.2 43.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.822 0.344 . . . . 71.51 111.299 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.8 88.59 1.0 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.828 -0.701 . . . . 44.31 111.498 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 15.8 t -97.55 115.79 28.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.653 0.263 . . . . 54.21 111.554 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 36.2 tptt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.427 -0.797 . . . . 72.44 109.543 172.357 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo . . . . . 0 N--CA 1.478 0.591 0 N-CA-C 110.712 -0.534 . . . . 72.44 110.712 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.99 -82.61 0.33 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.046 -0.822 . . . . 35.53 111.046 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 p -167.79 154.86 8.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.856 -0.424 . . . . 54.01 109.856 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -86.4 144.06 27.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.98 -0.378 . . . . 73.21 109.98 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 p -77.54 133.85 38.42 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.195 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.8 m -86.86 157.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.46 -0.336 . . . . 75.41 110.279 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -78.58 173.88 11.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 72.04 109.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -80.09 66.16 5.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.762 -0.458 . . . . 72.35 109.762 -178.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 m -52.52 -39.27 61.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.301 -0.409 . . . . 75.12 111.834 -173.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.88 -34.13 71.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 65.43 111.074 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -72.09 -48.45 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.605 -0.27 . . . . 71.13 110.386 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.54 -37.56 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 75.31 110.438 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.18 -45.78 93.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.419 -0.355 . . . . 73.45 110.058 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.92 -48.62 75.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 72.01 110.051 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.554 HD12 HD11 ' A' ' 38' ' ' ILE . 64.2 mt -61.64 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.036 -0.529 . . . . 75.31 110.713 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -64.61 -39.63 94.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 75.13 111.106 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.425 ' N ' HD21 ' A' ' 17' ' ' ASN . 0.9 OUTLIER -71.57 -29.92 65.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 71.44 110.347 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.33 -48.6 15.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 63.32 111.041 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -129.19 92.59 38.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.447 -0.342 . . . . 74.13 110.618 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.48 -13.82 30.46 Favored 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.464 2.109 . . . . 74.32 111.972 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -98.3 6.94 46.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.625 -0.716 . . . . 73.54 110.936 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.96 134.5 41.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.223 -0.444 . . . . 74.4 111.546 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.06 105.95 13.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.841 -0.618 . . . . 74.04 109.807 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.0 mt -88.61 115.56 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.712 -0.676 . . . . 75.31 110.184 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.523 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 16.0 m -120.35 105.31 10.78 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.056 0.455 . . . . 61.44 110.405 176.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.52 126.32 40.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.155 0.502 . . . . 74.44 110.19 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 m -120.34 118.09 29.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.05 -0.523 . . . . 63.14 110.264 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 p -94.46 100.8 12.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.044 -0.525 . . . . 64.04 110.372 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 3.2 mm? -78.51 86.45 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.112 0.482 . . . . 71.35 110.401 -178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.37 124.74 40.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.547 -0.752 . . . . 73.4 110.26 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.78 -99.53 0.17 Allowed Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.914 -0.875 . . . . 63.24 110.914 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.73 -67.15 0.87 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.121 -0.696 . . . . 71.24 109.121 173.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -100.13 115.44 29.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.784 -0.821 . . . . 73.15 108.784 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.82 109.88 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.19 0.519 . . . . 61.41 111.652 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.4 p80 -122.48 140.63 52.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.035 -0.728 . . . . 63.31 109.035 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -112.24 149.69 31.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.971 0.415 . . . . 71.31 110.867 -172.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -134.48 119.24 18.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.921 -0.581 . . . . 63.0 110.433 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.554 HD11 HD12 ' A' ' 15' ' ' ILE . 14.0 pt -99.55 109.74 25.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.288 0.566 . . . . 73.4 110.236 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.523 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 83.0 tttt -86.27 117.88 25.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.563 -0.744 . . . . 73.43 109.977 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.91 109.14 27.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.369 -0.378 . . . . 63.22 110.244 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.3 mt -102.42 129.2 54.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.792 -0.363 . . . . 73.31 110.286 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 t -158.22 146.47 18.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.013 -0.54 . . . . 71.22 110.24 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.606 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 17.8 m -64.12 -11.07 26.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 73.12 111.317 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -69.31 -27.29 65.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 53.44 110.54 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -88.72 -10.56 47.94 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.164 0.431 . . . . 70.44 112.164 -174.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.606 ' HG2' ' O ' ' A' ' 43' ' ' SER . 3.2 pt20 -64.29 143.79 57.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.643 0.259 . . . . 75.13 110.311 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.41 -24.44 25.45 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.739 -0.743 . . . . 61.23 112.326 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -93.05 133.47 36.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.998 0.428 . . . . 74.22 110.239 -179.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.6 m -71.51 165.12 24.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.333 -0.849 . . . . 74.4 111.333 -174.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -55.33 -40.62 71.42 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.134 -0.484 . . . . 71.43 110.873 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' H ' HD21 ' A' ' 51' ' ' LEU . 3.3 mm? -55.14 -49.8 70.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.594 . . . . 63.51 110.174 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -63.73 -41.42 98.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.741 -0.663 . . . . 71.2 110.785 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.58 ' O ' HG13 ' A' ' 57' ' ' ILE . 67.2 mt-30 -56.69 -47.72 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 70.33 111.134 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.427 ' HA ' HD11 ' A' ' 57' ' ' ILE . 30.1 m80 -72.5 -36.44 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 75.33 110.096 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -60.55 -44.68 95.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 74.14 110.527 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.477 ' CE ' ' HA ' ' A' ' 53' ' ' GLN . 73.0 mtm -61.82 -42.7 99.35 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.095 -0.502 . . . . 75.15 110.339 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.733 HG23 HG12 ' A' ' 71' ' ' ILE . 93.9 mt -55.0 -53.19 36.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.625 0.25 . . . . 62.1 110.752 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -62.15 -36.58 82.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 75.23 111.283 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -77.55 -36.47 52.2 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.092 0.405 . . . . 73.42 112.092 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.3 t -73.32 -41.6 57.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.688 0.28 . . . . 74.32 110.745 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD13 ' HB3' ' A' ' 70' ' ' GLN . 56.7 mt -69.03 -29.75 67.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.535 -0.302 . . . . 70.44 110.369 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 t70 58.5 76.65 0.33 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.403 -0.817 . . . . 64.21 110.681 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.15 -154.78 25.85 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 110.509 -1.036 . . . . 43.43 110.509 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -110.5 -80.41 0.58 Allowed 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 110.276 -0.268 . . . . 64.45 110.276 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 53.3 28.41 7.24 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.94 -0.573 . . . . 65.22 110.896 -177.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.3 tt -72.58 -3.34 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 115.991 -0.55 . . . . 65.41 112.125 -170.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -81.68 -2.07 49.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.287 0.565 . . . . 73.33 110.001 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 177.1 11.81 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.722 -0.672 . . . . 64.03 109.656 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.34 101.71 12.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.427 -0.583 . . . . 52.42 109.427 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.415 ' HB3' HD13 ' A' ' 61' ' ' LEU . 24.1 tp60 -65.9 -47.55 74.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.329 -0.396 . . . . 62.22 111.102 -175.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.733 HG12 HG23 ' A' ' 57' ' ' ILE . 9.5 pt -123.32 139.58 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.699 -0.482 . . . . 73.11 109.699 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 40.2 mt-30 -114.01 108.41 16.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.421 -0.585 . . . . 75.12 109.421 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -119.7 119.99 35.29 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.513 -0.312 . . . . 71.51 110.694 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.54 -82.44 1.67 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.87 -0.681 . . . . 44.31 112.709 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 69.0 m -134.15 164.62 26.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.448 . . . . 54.21 111.716 -175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.6 tptp . . . . . 0 C--O 1.247 0.962 0 CA-C-N 115.379 -0.828 . . . . 72.44 110.643 179.216 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo . . . . . 0 N--CA 1.474 0.356 0 N-CA-C 110.462 -0.63 . . . . 72.44 110.462 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.6 -81.56 0.85 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.01 -0.614 . . . . 35.53 111.807 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -83.84 109.69 17.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.986 0.422 . . . . 54.01 110.028 177.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.759 ' HA ' ' HE3' ' A' ' 4' ' ' MET . 16.7 mmt -70.97 106.08 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.981 -0.554 . . . . 73.21 111.179 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m -98.39 111.9 24.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.068 -0.515 . . . . 71.41 109.715 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.9 p -111.59 138.79 38.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.365 -0.38 . . . . 75.41 110.682 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -87.25 158.71 19.03 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.777 -0.453 . . . . 72.04 109.777 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -95.22 128.33 41.97 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.127 -0.694 . . . . 72.35 109.127 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m -59.2 -48.59 81.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.395 -0.366 . . . . 75.12 111.281 -174.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.54 -44.84 89.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.58 0.229 . . . . 65.43 111.216 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.67 -48.08 80.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 71.13 110.708 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.11 -54.01 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 75.31 110.435 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.81 -39.18 73.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.013 -0.994 . . . . 73.45 111.066 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.93 -50.73 69.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.5 . . . . 72.01 110.766 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mt -71.99 -34.75 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.982 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -68.3 -35.7 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 75.13 110.811 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -78.19 -31.4 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 71.44 110.571 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.17 -45.99 68.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 63.32 110.706 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -126.96 89.05 53.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.064 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -63.5 -45.02 12.44 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.17 2.58 . . . . 74.32 113.401 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.76 27.35 2.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.222 0.534 . . . . 73.54 111.026 -178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.474 ' HB1' ' HG ' ' A' ' 42' ' ' SER . . . -121.42 146.71 46.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.791 -0.64 . . . . 74.4 110.011 177.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -100.19 120.08 39.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.356 0.598 . . . . 74.04 111.688 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.444 ' N ' HD12 ' A' ' 24' ' ' ILE . 4.1 mp -88.38 110.89 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.402 -0.817 . . . . 75.31 109.098 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.513 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 12.8 m -109.57 114.5 28.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.441 -0.345 . . . . 61.44 110.857 -177.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.7 t -82.56 112.07 19.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.516 -0.92 . . . . 74.44 108.516 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.8 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 29.5 m -93.43 106.35 18.33 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.555 -0.748 . . . . 63.14 111.018 -171.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.474 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 17.9 t -86.23 111.0 20.0 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.186 -0.915 . . . . 64.04 109.611 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 mt -87.48 -172.93 4.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.091 -0.707 . . . . 71.35 109.091 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.64 135.44 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.592 -0.892 . . . . 73.4 108.592 171.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.62 55.72 2.08 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.353 -0.451 . . . . 63.24 113.957 -172.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -114.21 -9.67 12.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.477 -0.564 . . . . 71.24 109.477 172.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -105.1 134.75 47.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.447 -0.797 . . . . 73.15 109.258 174.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -67.33 -39.41 85.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.283 0.563 . . . . 61.41 110.635 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -101.07 143.71 30.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.724 -0.671 . . . . 63.31 109.52 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 92.9 m-85 -103.33 172.42 6.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.095 -0.335 . . . . 71.31 110.095 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.8 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 53.4 m -89.61 149.91 22.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.15 0.5 . . . . 63.0 111.259 -173.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.3 pt -115.23 111.86 37.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.864 -0.607 . . . . 73.4 110.1 176.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 3.4 ttmp? -103.7 110.26 22.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.639 -0.504 . . . . 73.43 109.639 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 t -99.15 104.35 15.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.811 -0.631 . . . . 63.22 109.888 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.9 mm -86.81 99.1 7.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.273 0.559 . . . . 73.31 109.538 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.474 ' HG ' ' HB1' ' A' ' 22' ' ' ALA . 9.2 m -142.31 138.83 31.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.387 -0.824 . . . . 71.22 110.354 -177.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.6 m -66.73 -13.01 60.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.253 0.549 . . . . 73.12 110.401 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -72.67 -10.51 59.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.853 -0.612 . . . . 53.44 110.621 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.451 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 67.0 m-85 -113.59 13.63 18.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 70.44 111.045 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -121.73 116.44 24.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.813 0.339 . . . . 75.13 111.081 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.06 21.88 50.88 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.927 -0.654 . . . . 61.23 112.711 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.501 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -104.48 -171.26 1.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.021 -0.363 . . . . 74.22 110.021 -178.163 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.614 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 44.9 m -85.47 137.17 33.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.728 -0.215 . . . . 74.4 110.912 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -56.83 -48.81 77.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.494 -0.321 . . . . 71.43 111.504 -178.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.09 -42.31 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.49 -0.323 . . . . 63.51 110.456 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.512 ' O ' ' HG2' ' A' ' 56' ' ' MET . 41.6 tt0 -58.12 -49.95 75.18 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.945 -0.57 . . . . 71.2 110.78 177.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 49' ' ' SER . 23.7 mm-40 -59.57 -47.34 85.92 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.982 -0.554 . . . . 70.33 110.904 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -65.55 -40.45 92.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.819 -0.628 . . . . 75.33 110.041 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -59.65 -45.21 92.7 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.335 -0.393 . . . . 74.14 110.779 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 97.0 mmm -57.75 -45.24 86.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.526 . . . . 75.15 110.374 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.434 HG12 HD13 ' A' ' 71' ' ' ILE . 72.1 mt -59.08 -49.96 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.845 -0.616 . . . . 62.1 111.105 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.604 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 36.9 m-85 -60.52 -31.47 70.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.687 -0.233 . . . . 75.23 111.383 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -69.95 -51.53 31.91 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.007 -0.277 . . . . 73.42 111.663 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.6 m -82.58 -29.09 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 112.726 0.639 . . . . 74.32 112.726 -172.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 31.9 tp -101.55 16.62 25.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.098 0.475 . . . . 70.44 111.102 -172.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.604 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 8.3 t0 -87.69 100.37 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 64.21 110.524 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -139.18 50.22 0.79 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.55 -1.02 . . . . 43.43 110.55 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.2 mt 63.44 71.63 0.5 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.65 0.738 . . . . 64.45 109.47 -170.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.485 ' OD1' ' HB2' ' A' ' 68' ' ' ALA . 41.3 t30 -139.88 137.06 34.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.99 -1.005 . . . . 65.22 109.986 -175.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.46 102.26 10.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.672 0.272 . . . . 65.41 111.226 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.4 m170 71.84 -7.45 1.26 Allowed 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.423 0.898 . . . . 73.33 113.423 172.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.485 ' HB2' ' OD1' ' A' ' 65' ' ' ASN . . . -80.69 94.27 6.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.266 0.555 . . . . 64.03 110.666 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.2 mt -85.6 96.59 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.757 -0.656 . . . . 52.42 110.621 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -100.89 16.63 24.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 62.22 110.352 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.434 HD13 HG12 ' A' ' 57' ' ' ILE . 19.4 tt -109.76 139.59 32.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.991 -0.549 . . . . 73.11 110.687 -177.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -118.3 108.67 15.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.234 -0.654 . . . . 75.12 109.234 172.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.42 HG21 HG12 ' A' ' 71' ' ' ILE . 6.2 p -118.79 127.02 53.14 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.464 -0.334 . . . . 71.51 111.475 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.72 -137.48 6.58 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.916 -0.659 . . . . 44.31 111.813 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 43.8 t -127.13 135.88 51.34 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.993 -0.373 . . . . 54.21 109.993 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.521 -0.752 . . . . 72.44 109.643 177.535 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo . . . . . 0 N--CA 1.476 0.478 0 N-CA-C 110.435 -0.64 . . . . 72.44 110.435 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.58 117.74 4.58 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.464 -0.874 . . . . 35.53 111.644 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -72.42 93.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.989 0.423 . . . . 54.01 110.107 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -78.29 78.56 4.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.432 0.634 . . . . 73.21 111.179 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 p -88.73 110.06 20.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.722 -0.672 . . . . 71.41 110.269 174.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -89.99 153.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.18 -0.463 . . . . 75.41 111.344 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.9 p -113.32 169.56 8.86 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.737 -0.665 . . . . 72.04 109.889 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.57 ' HB3' HD11 ' A' ' 11' ' ' LEU . 38.7 mt-30 -79.58 72.86 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.283 -1.006 . . . . 72.35 108.283 172.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -63.09 -41.45 99.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.125 -0.943 . . . . 75.12 111.867 -168.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -61.32 -43.1 99.44 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.706 -0.397 . . . . 65.43 109.964 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.57 HD11 ' HB3' ' A' ' 8' ' ' GLN . 6.7 mp -66.96 -46.09 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.921 -0.582 . . . . 71.13 110.476 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HG3' HG23 ' A' ' 24' ' ' ILE . 41.3 tt0 -60.18 -54.35 46.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.825 -0.625 . . . . 75.31 110.839 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.43 -38.59 81.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.756 . . . . 73.45 110.748 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.64 -50.74 68.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 72.01 110.689 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.87 -40.04 80.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.232 -0.44 . . . . 75.31 111.23 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -68.52 -34.36 75.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.608 -0.269 . . . . 75.13 111.27 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -78.9 -40.13 33.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.896 -0.322 . . . . 71.44 110.832 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.26 80.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.429 -0.351 . . . . 63.32 110.72 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -124.97 92.07 48.27 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.364 -0.38 . . . . 74.13 110.38 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.58 -9.68 26.78 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.613 2.208 . . . . 74.32 111.602 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -93.12 3.91 54.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.119 -0.946 . . . . 73.54 110.201 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.412 ' HB2' HG12 ' A' ' 40' ' ' VAL . . . -115.82 129.55 56.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.934 0.397 . . . . 74.4 111.652 -175.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.634 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 27.8 mm-40 -82.44 129.18 34.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.639 -0.709 . . . . 74.04 109.682 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.425 HG23 ' HG3' ' A' ' 12' ' ' GLU . 5.7 mm -87.28 110.51 20.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.188 -0.671 . . . . 75.31 109.188 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.538 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 14.0 m -109.51 110.27 21.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.993 -0.549 . . . . 61.44 109.854 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 m -89.36 115.15 28.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.565 0.697 . . . . 74.44 111.098 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.902 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 23.8 m -94.06 105.51 17.51 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.762 -0.654 . . . . 63.14 109.646 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -93.75 115.33 27.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.888 -0.597 . . . . 64.04 111.0 -176.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.39 98.86 11.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.252 -0.647 . . . . 71.35 109.252 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.4 t -75.19 122.93 29.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 73.4 110.354 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.76 -65.42 0.31 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.132 -0.787 . . . . 63.24 111.132 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -131.57 134.99 46.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.791 0.329 . . . . 71.24 110.342 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -76.8 69.41 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.684 -0.689 . . . . 73.15 110.538 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -94.95 -77.31 0.47 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.955 -0.566 . . . . 61.41 110.112 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -146.76 145.35 29.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.517 -0.549 . . . . 63.31 109.517 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -113.72 145.76 40.88 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.623 -0.51 . . . . 71.31 109.623 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.902 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 11.1 t -86.4 131.26 34.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.237 -0.438 . . . . 63.0 111.283 -170.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.0 mm -100.48 102.66 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.671 -0.492 . . . . 73.4 109.671 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.654 ' HZ2' ' HB2' ' A' ' 39' ' ' LYS . 4.6 ttmp? -94.88 114.06 25.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.236 0.541 . . . . 73.43 109.778 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.412 HG12 ' HB2' ' A' ' 22' ' ' ALA . 77.8 t -91.15 114.37 28.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.417 -0.811 . . . . 63.22 110.479 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.634 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 50.3 mm -101.61 104.89 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.329 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -150.58 131.32 14.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.207 -0.451 . . . . 71.22 109.989 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.1 m -67.83 -4.64 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.983 -0.553 . . . . 73.12 112.369 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -84.87 -6.26 59.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.408 . . . . 53.44 110.438 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -94.92 -10.64 30.5 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.152 0.501 . . . . 70.44 110.005 172.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -73.92 123.77 24.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.669 . . . . 75.13 110.291 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.21 -2.83 59.69 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.669 -0.776 . . . . 61.23 111.852 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.485 ' HB3' ' HG3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -81.4 174.85 11.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.139 -0.319 . . . . 74.22 110.139 177.65 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.9 m -128.3 162.27 27.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.008 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -45.84 -60.11 2.42 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.722 0.638 . . . . 71.43 112.722 -173.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.97 -43.56 77.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.965 0.412 . . . . 63.51 111.186 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE1' ' HG3' ' A' ' 48' ' ' LYS . 36.7 tt0 -69.47 -44.92 70.2 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.834 -0.621 . . . . 71.2 110.863 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.485 ' HG3' ' HB3' ' A' ' 48' ' ' LYS . 54.4 mt-30 -60.46 -47.39 86.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 70.33 110.476 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.79 -47.55 85.83 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.002 -0.544 . . . . 75.33 110.094 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -60.08 -44.26 94.91 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 111.755 0.28 . . . . 74.14 111.755 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.436 ' HE2' ' HA ' ' A' ' 53' ' ' GLN . 69.2 mtm -58.86 -43.66 90.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.954 -0.298 . . . . 75.15 110.206 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.468 HG23 HG22 ' A' ' 71' ' ' ILE . 98.2 mt -55.7 -50.49 67.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.084 -0.507 . . . . 62.1 110.686 175.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -64.31 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.978 0.362 . . . . 75.23 111.978 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.553 ' HZ2' ' HB3' ' A' ' 59' ' ' LYS . 9.9 mtpm? -81.1 -30.25 34.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.117 0.414 . . . . 73.42 112.117 -178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -88.51 -34.15 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 120.537 -0.465 . . . . 74.32 111.062 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.1 32.29 2.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.406 0.622 . . . . 70.44 109.533 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -74.55 87.23 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.607 -0.724 . . . . 64.21 110.626 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.43 31.71 1.66 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.673 -0.694 . . . . 43.43 111.62 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.5 mt 60.4 28.01 17.63 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.182 0.438 . . . . 64.45 112.182 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -102.99 84.26 2.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.759 -0.46 . . . . 65.22 109.759 175.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 52.6 mt -82.25 101.62 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.249 -0.432 . . . . 65.41 111.153 -173.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.6 m170 66.22 8.93 5.94 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.581 -0.736 . . . . 73.33 111.636 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.84 -28.78 61.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.035 0.445 . . . . 64.03 110.733 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.2 mm -100.98 131.47 48.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.715 -0.675 . . . . 52.42 110.091 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -80.14 87.66 5.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.174 0.512 . . . . 62.22 110.33 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.468 HG22 HG23 ' A' ' 57' ' ' ILE . 2.8 tp -97.64 119.18 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 73.11 110.211 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.405 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 84.8 mm-40 -127.59 118.96 24.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.11 -0.496 . . . . 75.12 110.017 178.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.7 p -92.23 124.52 36.36 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 121.015 -0.274 . . . . 71.51 110.752 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.0 156.91 29.0 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.04 -0.6 . . . . 44.31 112.481 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.9 p -133.96 164.67 26.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.624 0.25 . . . . 54.21 110.62 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' HE3' ' HB3' ' A' ' 76' ' ' LYS . 28.3 mmmt . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.417 -0.801 . . . . 72.44 110.484 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo . . . . . 0 N--CA 1.474 0.331 0 N-CA-C 110.32 -0.685 . . . . 72.44 110.32 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.27 -147.3 16.23 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.327 -0.709 . . . . 35.53 111.327 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -86.4 -5.58 59.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.73 0.3 . . . . 54.01 110.287 178.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 67.3 mtt -86.47 113.45 22.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 73.21 110.788 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 35' ' ' HIS . 16.4 m -129.27 109.57 11.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.867 -0.606 . . . . 71.41 109.71 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.474 HG22 ' HE2' ' A' ' 36' ' ' TYR . 10.5 p -140.31 158.33 25.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.121 -174.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -89.56 159.28 17.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.115 0.483 . . . . 72.04 110.723 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -144.4 147.69 33.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.645 -0.707 . . . . 72.35 109.458 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -60.95 -35.09 75.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.766 0.317 . . . . 75.12 110.57 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -69.61 -37.24 76.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 65.43 110.462 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.69 -46.56 71.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 71.13 110.1 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.61 -43.06 97.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.858 -0.61 . . . . 75.31 110.862 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.25 -45.34 91.45 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.774 -0.454 . . . . 73.45 109.774 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.8 -47.56 82.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 72.01 110.608 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.1 mt -59.83 -48.84 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.234 -0.439 . . . . 75.31 111.006 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -72.52 -27.66 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.687 0.28 . . . . 75.13 111.553 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.15 -38.05 36.96 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.968 -0.293 . . . . 71.44 110.522 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.68 -40.03 63.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.065 0.459 . . . . 63.32 110.446 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -129.55 88.77 49.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.074 -0.512 . . . . 74.13 110.741 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.72 -3.69 14.22 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.621 2.214 . . . . 74.32 111.119 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -99.39 14.66 28.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.699 -1.137 . . . . 73.54 109.581 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.13 139.06 48.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 74.4 111.133 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -98.77 138.55 35.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.425 . . . . 74.04 110.219 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -108.03 117.78 54.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 75.31 110.855 -175.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.517 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 13.4 m -122.0 123.35 41.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.096 -0.335 . . . . 61.44 110.096 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 m -83.03 110.35 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.552 0.692 . . . . 74.44 110.622 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 m -94.24 127.26 39.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 63.14 111.106 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 p -85.14 110.24 18.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.731 -0.668 . . . . 64.04 110.98 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.99 -52.0 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.35 110.272 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.621 HG13 ' H ' ' A' ' 32' ' ' ASP . 15.0 p -121.33 -22.25 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.85 -0.614 . . . . 73.4 110.194 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.79 -33.94 6.07 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.872 -0.68 . . . . 63.24 111.49 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.621 ' H ' HG13 ' A' ' 30' ' ' VAL . 25.0 t70 -72.41 153.91 41.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.749 -0.226 . . . . 71.24 110.695 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.612 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . 12.7 m120 -67.02 -15.74 63.92 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.519 0.563 . . . . 73.15 112.519 -174.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -60.72 -34.05 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.952 0.723 . . . . 61.41 112.952 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.416 ' HA ' ' O ' ' A' ' 5' ' ' THR . 33.6 p-80 -157.41 126.44 5.84 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.918 -0.713 . . . . 63.31 112.745 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.612 ' CE2' ' HA ' ' A' ' 33' ' ' ASN . 93.2 m-85 -128.7 174.19 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.939 -1.028 . . . . 71.31 109.727 174.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.8 m -121.69 138.27 54.41 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.924 -0.399 . . . . 63.0 109.924 171.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.1 mt -99.73 115.7 41.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.962 -0.384 . . . . 73.4 109.962 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.517 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 14.0 ttmt -88.93 126.1 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.779 -0.452 . . . . 73.43 109.779 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.2 t -121.32 107.45 20.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.923 -0.581 . . . . 63.22 109.928 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.48 113.05 30.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.275 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.2 t -156.66 146.76 21.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.089 -0.505 . . . . 71.22 110.202 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 m -69.13 -8.79 48.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.144 -0.48 . . . . 73.12 110.831 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -79.19 -10.29 59.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.033 0.444 . . . . 53.44 110.266 175.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -108.3 -10.71 15.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 70.44 110.108 173.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -84.86 143.4 29.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.66 . . . . 75.13 110.286 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 -28.02 6.99 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.61 -0.805 . . . . 61.23 112.146 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -87.71 164.74 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.275 -0.269 . . . . 74.22 110.275 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -97.3 162.98 13.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.096 0.474 . . . . 74.4 111.653 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.623 ' HG3' HD22 ' A' ' 51' ' ' LEU . 16.6 ptpt -55.75 -37.52 68.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.376 -0.829 . . . . 71.43 112.404 -177.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.623 HD22 ' HG3' ' A' ' 50' ' ' LYS . 4.2 mm? -58.41 -47.96 82.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 63.51 110.291 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -60.31 -45.93 91.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.493 -0.776 . . . . 71.2 110.243 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' O ' HG12 ' A' ' 57' ' ' ILE . 88.5 mt-30 -59.75 -46.96 87.56 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.587 -0.733 . . . . 70.33 110.691 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -61.02 -47.48 86.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 75.33 110.824 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.459 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 8.6 mpt_? -58.84 -52.34 66.16 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.284 -0.416 . . . . 74.14 111.35 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.422 ' O ' HG22 ' A' ' 60' ' ' VAL . 71.3 mtm -57.17 -49.53 75.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.282 -0.417 . . . . 75.15 111.016 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.529 HG13 HG12 ' A' ' 71' ' ' ILE . 45.9 mm -62.25 -41.07 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 62.1 110.961 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -65.03 -33.75 76.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.024 -0.534 . . . . 75.23 111.046 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -78.2 -41.77 33.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 73.42 111.252 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 56' ' ' MET . 92.3 t -65.92 -44.53 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.957 0.408 . . . . 74.32 110.641 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -94.25 35.19 1.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.108 -0.496 . . . . 70.44 110.172 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.2 125.65 24.11 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.721 -0.672 . . . . 64.21 111.57 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.38 179.17 42.3 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 109.8 -1.32 . . . . 43.43 109.8 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.7 tp -74.99 78.51 2.19 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.924 0.392 . . . . 64.45 110.15 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -153.9 92.36 1.54 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.925 -0.579 . . . . 65.22 109.498 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.407 HD13 ' N ' ' A' ' 66' ' ' ILE . 4.2 mp -99.47 100.47 10.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.0 -0.546 . . . . 65.41 110.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -133.37 148.7 51.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.821 -0.627 . . . . 73.33 110.647 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.32 -35.29 58.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.072 -0.513 . . . . 64.03 111.145 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.0 tt -141.89 105.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.616 0.722 . . . . 52.42 111.633 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.48 1.11 2.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.5 -0.773 . . . . 62.22 110.087 171.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.529 HG12 HG13 ' A' ' 57' ' ' ILE . 2.4 tp -133.99 136.72 53.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.161 -0.927 . . . . 73.11 109.356 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 79.6 mt-30 -122.53 108.31 13.01 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.266 -0.642 . . . . 75.12 109.266 174.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 p -107.11 139.25 41.83 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 116.304 -0.407 . . . . 71.51 111.018 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.12 90.18 0.17 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.946 -0.645 . . . . 44.31 112.347 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 47.4 t -84.55 115.79 22.8 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.631 -0.507 . . . . 54.21 109.631 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.6 tttm . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.597 -0.716 . . . . 72.44 109.485 179.502 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.478 0.585 0 N-CA-C 110.338 -0.678 . . . . 72.44 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.08 -152.75 6.18 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.61 -0.805 . . . . 35.53 112.117 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p 54.86 18.63 2.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.743 0.817 . . . . 54.01 111.963 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -81.38 174.21 11.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.568 . . . . 73.21 110.275 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -140.96 125.53 17.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.276 0.56 . . . . 71.41 110.249 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.15 154.34 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.997 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -80.42 161.74 24.79 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.809 -0.632 . . . . 72.04 110.16 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.427 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 5.7 tp-100 63.0 27.31 15.86 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 122.271 1.034 . . . . 72.35 109.628 -175.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 p -65.04 -22.68 67.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.521 -1.218 . . . . 75.12 111.349 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -67.39 -41.48 84.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 65.43 110.382 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.462 HD12 HG13 ' A' ' 38' ' ' ILE . 2.4 tm? -69.31 -40.19 77.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.894 -0.78 . . . . 71.13 108.894 176.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.32 -54.63 43.14 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.677 -0.692 . . . . 75.31 109.937 174.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.3 -35.61 72.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.788 -0.642 . . . . 73.45 111.52 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.42 -48.49 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.037 -0.357 . . . . 72.01 110.037 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.613 HD12 HG23 ' A' ' 38' ' ' ILE . 67.3 mt -68.6 -34.29 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 75.31 110.51 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -61.61 -38.09 86.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.351 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -83.68 -26.33 29.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 71.44 111.308 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.14 -51.31 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.389 -0.369 . . . . 63.32 110.399 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.66 92.82 14.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 74.13 110.151 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.25 -18.18 50.34 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.808 2.339 . . . . 74.32 112.05 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -97.69 22.9 8.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 73.54 110.362 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 42' ' ' SER . . . -112.09 134.02 53.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.754 -0.657 . . . . 74.4 110.653 178.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.526 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 7.3 mm-40 -78.4 101.09 7.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.386 -0.598 . . . . 74.04 109.386 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 57.4 mt -87.79 110.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.051 -0.522 . . . . 75.31 110.293 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.514 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 25.9 m -109.16 111.68 23.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.504 . . . . 61.44 110.764 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 m -83.05 126.94 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.155 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 m -125.56 116.47 21.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.367 -0.378 . . . . 63.14 111.23 -175.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.536 ' HB3' ' CE2' ' A' ' 36' ' ' TYR . 2.4 p -85.47 111.36 19.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.112 0.482 . . . . 64.04 111.005 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.84 114.48 28.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.181 0.515 . . . . 71.35 109.96 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.15 93.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.723 -0.671 . . . . 73.4 109.894 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.14 -115.87 2.61 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.811 -0.709 . . . . 63.24 111.832 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -84.06 -10.8 57.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.539 0.685 . . . . 71.24 109.585 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -155.31 137.81 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.861 -1.063 . . . . 73.15 108.857 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.67 93.8 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.511 -0.551 . . . . 61.41 109.511 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -122.69 158.81 29.26 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.623 -0.717 . . . . 63.31 109.868 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.536 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 38.9 m-85 -115.84 130.7 56.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.786 0.327 . . . . 71.31 110.664 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -101.89 145.32 29.39 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.903 -0.777 . . . . 63.0 108.903 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.613 HG23 HD12 ' A' ' 15' ' ' ILE . 42.3 mm -112.55 109.13 27.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 120.924 0.392 . . . . 73.4 110.596 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.514 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 35.4 mtmm -89.46 116.83 27.93 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.725 -0.472 . . . . 73.43 109.725 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.37 104.47 17.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 63.22 110.274 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.526 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 41.2 mm -102.67 112.46 36.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.062 -0.517 . . . . 73.31 109.913 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.517 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 32.2 t -152.1 147.75 26.83 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.42 -0.512 . . . . 71.22 111.185 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 p -64.41 -18.47 64.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.596 -0.729 . . . . 73.12 110.709 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.82 -16.27 62.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.863 -0.608 . . . . 53.44 110.868 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -111.11 -8.76 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.887 0.375 . . . . 70.44 110.49 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.589 ' HG3' ' HG3' ' A' ' 76' ' ' LYS . 10.3 tt0 -87.61 125.45 34.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.777 -175.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.37 19.87 70.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.083 -0.58 . . . . 61.23 112.495 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -105.02 157.31 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.191 -0.3 . . . . 74.22 110.191 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.439 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 15.6 m -60.58 132.84 55.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.262 -0.426 . . . . 74.4 110.35 175.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.503 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 59.2 mttp -61.67 -40.23 94.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 71.43 110.963 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.485 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 96.5 mt -54.27 -46.68 72.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.231 -0.441 . . . . 63.51 110.164 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.439 ' HG2' ' HB2' ' A' ' 49' ' ' SER . 31.4 mm-40 -63.43 -43.0 98.7 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.858 -0.61 . . . . 71.2 111.081 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.504 ' O ' HG12 ' A' ' 57' ' ' ILE . 81.4 mt-30 -57.87 -47.75 81.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.169 0.509 . . . . 70.33 110.118 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -68.94 -39.72 79.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.551 -0.749 . . . . 75.33 110.383 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.485 ' HG3' ' O ' ' A' ' 51' ' ' LEU . 76.2 mtp180 -53.9 -53.96 45.41 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.104 0.478 . . . . 74.14 110.647 175.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 66.2 mtm -62.99 -46.17 88.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.503 -0.771 . . . . 75.15 111.131 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 53' ' ' GLN . 41.3 mm -64.47 -42.78 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.64 -0.255 . . . . 62.1 111.036 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -66.34 -33.01 74.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.632 0.254 . . . . 75.23 111.061 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -38.52 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.504 -0.317 . . . . 73.42 110.782 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.432 HG13 HD21 ' A' ' 61' ' ' LEU . 14.8 p -80.54 -31.47 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 120.948 -0.301 . . . . 74.32 111.242 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.432 HD21 HG13 ' A' ' 60' ' ' VAL . 4.0 mm? -85.87 6.88 26.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.848 0.356 . . . . 70.44 110.86 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.66 118.56 10.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 64.21 109.883 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.72 52.26 0.27 Allowed Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.654 -0.978 . . . . 43.43 110.654 -173.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 pp -92.82 156.58 16.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.521 -0.34 . . . . 64.45 110.968 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.449 ' HB2' HD11 ' A' ' 66' ' ' ILE . 19.0 m120 -139.62 -57.96 0.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.018 -0.537 . . . . 65.22 109.8 177.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.449 HD11 ' HB2' ' A' ' 65' ' ' ASN . 4.6 mp -91.64 -59.27 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.91 -0.586 . . . . 65.41 110.083 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -157.93 137.12 11.7 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.931 -0.766 . . . . 73.33 108.931 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -107.73 -47.1 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.816 0.341 . . . . 64.03 111.742 -176.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 pt -79.62 78.37 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.489 0.661 . . . . 52.42 112.467 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.71 18.05 5.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.664 -0.698 . . . . 62.22 109.434 171.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.41 HD11 HD11 ' A' ' 57' ' ' ILE . 7.8 tt -111.12 119.1 58.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.421 -0.809 . . . . 73.11 109.894 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.402 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . 49.1 mt-30 -113.44 108.51 17.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.874 -0.603 . . . . 75.12 110.197 -177.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 p -88.83 138.73 31.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.354 -0.385 . . . . 71.51 111.16 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.52 84.34 0.44 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.152 -0.547 . . . . 44.31 112.01 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.1 t -81.68 139.01 35.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.123 0.487 . . . . 54.21 111.735 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.589 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 35.3 mmtp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.267 -0.873 . . . . 72.44 109.2 175.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 N--CA 1.477 0.554 0 N-CA-C 110.821 -0.492 . . . . 72.44 110.821 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.63 93.74 1.49 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.994 -0.622 . . . . 35.53 111.969 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -114.03 122.91 48.33 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.623 -0.51 . . . . 54.01 109.623 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -100.5 -43.78 6.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.319 -0.4 . . . . 73.21 110.411 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.841 HG23 ' HA ' ' A' ' 33' ' ' ASN . 31.8 m -73.65 133.87 43.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.208 -0.451 . . . . 71.41 110.288 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 m -86.8 160.43 3.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.164 0.506 . . . . 75.41 110.956 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.451 HG21 ' HG ' ' A' ' 9' ' ' SER . 4.0 t -87.73 179.7 6.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.411 -0.813 . . . . 72.04 109.51 177.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.47 58.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 72.35 110.304 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.553 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 67.6 m -66.16 -22.65 66.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.919 0.711 . . . . 75.12 112.919 -172.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -67.64 -40.22 84.58 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.208 -0.597 . . . . 65.43 109.473 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.425 ' O ' HG12 ' A' ' 15' ' ' ILE . 3.2 tm? -71.04 -44.07 66.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.726 -0.67 . . . . 71.13 109.293 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.553 ' OE1' ' HA ' ' A' ' 9' ' ' SER . 81.4 mt-10 -57.03 -51.59 68.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.531 . . . . 75.31 110.205 176.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.72 -42.76 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.796 -0.638 . . . . 73.45 110.441 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.22 -49.29 76.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.291 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 11' ' ' LEU . 50.0 mm -59.7 -47.0 92.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.507 -0.315 . . . . 75.31 110.913 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -66.13 -38.25 87.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 75.13 111.368 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.508 ' N ' HD21 ' A' ' 17' ' ' ASN . 0.8 OUTLIER -80.69 -23.07 39.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.446 -0.343 . . . . 71.44 111.126 -176.229 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.69 -47.98 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.715 0.293 . . . . 63.32 110.387 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -128.94 97.8 25.78 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 74.13 110.513 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.45 -25.13 48.73 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.654 2.236 . . . . 74.32 112.126 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -82.03 -1.79 49.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.723 -0.672 . . . . 73.54 111.247 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.29 129.71 43.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.451 -0.34 . . . . 74.4 110.18 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -92.79 131.23 38.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.326 0.584 . . . . 74.04 111.039 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -105.6 117.76 51.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.065 -0.97 . . . . 75.31 109.731 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.53 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 14.3 m -119.17 107.68 13.74 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.877 -0.329 . . . . 61.44 110.185 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.03 115.13 24.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.645 0.736 . . . . 74.44 110.122 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.92 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 12.0 m -94.71 111.54 23.31 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.395 -0.821 . . . . 63.14 110.602 -177.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.584 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 37.5 m -87.08 121.69 29.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.557 -0.747 . . . . 64.04 109.375 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.5 ' HG ' HG22 ' A' ' 30' ' ' VAL . 2.4 pt? -135.81 -51.87 0.74 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.837 -0.345 . . . . 71.35 111.725 -175.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.5 HG22 ' HG ' ' A' ' 29' ' ' LEU . 35.6 m -131.44 148.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 73.4 111.407 -174.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.34 -173.83 32.03 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.492 -0.777 . . . . 63.24 113.648 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.433 ' HA ' ' OH ' ' A' ' 36' ' ' TYR . 25.0 t70 -135.73 -63.36 0.66 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.42 -0.585 . . . . 71.24 109.42 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.841 ' HA ' HG23 ' A' ' 5' ' ' THR . 9.1 t-20 -83.92 53.71 2.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.866 -0.791 . . . . 73.15 108.866 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -136.04 -176.88 4.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 61.41 110.568 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -88.18 137.13 32.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.561 . . . . 63.31 110.3 175.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 63.4 m-85 -107.76 173.66 6.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.943 -0.571 . . . . 71.31 110.287 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.92 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 23.3 t -86.52 126.13 34.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.888 0.375 . . . . 63.0 110.482 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.3 mm -99.9 105.6 17.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.117 0.484 . . . . 73.4 109.908 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.53 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 22.0 ttmm -92.68 113.48 25.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.068 -0.514 . . . . 73.43 109.924 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -98.63 114.53 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.765 -0.652 . . . . 63.22 110.479 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mm -106.06 100.21 10.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.884 -0.598 . . . . 73.31 109.721 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.466 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 15.7 m -125.94 136.49 53.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.818 0.342 . . . . 71.22 110.597 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.511 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 7.8 t -67.8 -17.21 64.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.804 -0.635 . . . . 73.12 109.536 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -72.19 -8.6 55.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.412 -0.813 . . . . 53.44 111.434 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.466 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 46.3 m-85 -99.28 -10.92 21.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.536 0.198 . . . . 70.44 111.536 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.511 ' HG2' ' O ' ' A' ' 43' ' ' SER . 19.5 pt20 -78.68 143.61 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 75.13 110.374 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.43 -26.79 12.22 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.371 -0.691 . . . . 61.23 111.371 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -91.8 138.5 31.51 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.362 -0.607 . . . . 74.22 109.362 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.466 ' HB2' ' OE1' ' A' ' 52' ' ' GLU . 20.2 m -81.19 169.76 16.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.376 -0.375 . . . . 74.4 111.045 -173.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -52.17 -34.14 43.69 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.791 -0.64 . . . . 71.43 111.71 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 tt -65.85 -49.7 67.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.386 . . . . 63.51 110.398 -174.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.466 ' OE1' ' HB2' ' A' ' 49' ' ' SER . 2.6 mp0 -58.96 -44.62 91.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.19 0.519 . . . . 71.2 110.025 177.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.409 ' O ' HG13 ' A' ' 57' ' ' ILE . 78.7 mt-30 -59.7 -43.75 93.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 70.33 110.527 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -61.17 -42.45 98.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.309 -0.405 . . . . 75.33 110.966 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -58.0 -49.63 76.2 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.321 0.581 . . . . 74.14 110.558 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.425 ' O ' HG22 ' A' ' 60' ' ' VAL . 82.0 mtp -58.63 -52.96 63.46 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.975 -1.011 . . . . 75.15 110.434 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.592 HG23 HD13 ' A' ' 71' ' ' ILE . 68.8 mt -57.54 -43.12 82.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.075 0.464 . . . . 62.1 110.292 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -54.34 -47.98 71.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.391 -0.822 . . . . 75.23 111.355 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 23.9 mmtt -86.04 -23.95 26.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.308 0.855 . . . . 73.42 113.308 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 56' ' ' MET . 48.2 t -68.02 -47.6 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.595 -0.442 . . . . 74.32 110.077 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.93 -33.61 45.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.146 -0.479 . . . . 70.44 110.049 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 61.47 33.76 18.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.311 -0.859 . . . . 64.21 110.15 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.43 149.06 19.8 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.503 -0.771 . . . . 43.43 111.302 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.15 99.15 5.3 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.945 0.402 . . . . 64.45 110.462 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -99.08 61.32 1.24 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.068 0.461 . . . . 65.22 110.642 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.3 mt -97.7 -34.19 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.895 -0.593 . . . . 65.41 109.571 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -62.43 -49.7 74.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.689 -0.687 . . . . 73.33 110.066 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.64 90.36 2.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.302 -0.863 . . . . 64.03 109.844 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 tp -82.92 90.72 2.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.868 0.842 . . . . 52.42 110.023 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -2.1 44.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.39 -0.823 . . . . 62.22 111.851 -174.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.592 HD13 HG23 ' A' ' 57' ' ' ILE . 8.0 tt -113.15 119.25 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.235 0.54 . . . . 73.11 110.215 174.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -116.74 119.87 36.82 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.333 -0.617 . . . . 75.12 109.333 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.0 m -107.56 129.74 54.95 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.45 -0.341 . . . . 71.51 111.406 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.24 163.44 32.64 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.976 -0.63 . . . . 44.31 113.624 173.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 43.2 t -134.25 139.74 45.96 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.132 -0.692 . . . . 54.21 109.132 175.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.72 -0.657 . . . . 72.44 110.507 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 CA--C 1.518 -0.278 0 N-CA-C 110.276 -0.702 . . . . 72.44 110.276 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.8 73.23 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 119.944 -1.122 . . . . 35.53 113.293 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -88.27 125.01 34.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.6 -0.889 . . . . 54.01 108.6 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.426 ' HG3' ' O ' ' A' ' 4' ' ' MET . 15.6 tpt 61.9 32.35 17.94 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.84 0.828 . . . . 73.21 109.702 -174.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.1 t -84.8 152.03 23.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.692 -0.686 . . . . 71.41 110.126 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.9 p -156.65 135.46 3.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.942 -0.572 . . . . 75.41 109.584 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m -81.23 158.64 24.78 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.666 -0.494 . . . . 72.04 109.666 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.29 88.79 3.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.411 -0.589 . . . . 72.35 109.411 175.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 m -59.3 -33.68 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.324 -0.853 . . . . 75.12 112.113 -174.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.44 -37.44 87.54 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.692 -0.403 . . . . 65.43 110.566 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.44 -42.75 71.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.944 0.402 . . . . 71.13 110.111 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -59.79 -51.42 69.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.825 -0.625 . . . . 75.31 109.785 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.99 -38.96 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.661 -0.7 . . . . 73.45 110.662 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.0 -49.35 78.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.745 0.307 . . . . 72.01 110.487 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -64.72 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.654 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -69.08 -33.93 74.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 75.13 111.152 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.32 -33.33 49.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 71.44 110.599 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.06 -45.29 34.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 63.32 110.726 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -126.81 89.81 51.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.388 -0.369 . . . . 74.13 110.644 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.72 6.73 3.1 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 123.012 2.475 . . . . 74.32 111.968 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -115.99 13.18 15.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.559 -0.746 . . . . 73.54 110.303 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' HB3' HG12 ' A' ' 40' ' ' VAL . . . -112.19 131.82 55.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.521 . . . . 74.4 112.204 -174.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.718 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -85.34 106.95 17.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.832 -0.803 . . . . 74.04 108.832 174.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.4 mt -90.71 124.17 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.874 -0.603 . . . . 75.31 111.549 -174.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.647 ' HB ' ' HE2' ' A' ' 39' ' ' LYS . 86.7 m -135.2 128.79 32.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.297 -0.411 . . . . 61.44 110.643 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.1 m -100.42 121.26 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.0 0.429 . . . . 74.44 110.174 174.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.6 m -120.85 121.13 37.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.233 -0.44 . . . . 63.14 111.293 -176.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 m -80.74 131.11 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.291 -0.413 . . . . 64.04 110.245 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.482 HD12 ' HB2' ' A' ' 37' ' ' SER . 7.6 mp -78.82 82.62 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.458 -0.337 . . . . 71.35 110.803 -177.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.4 m 40.26 31.12 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.553 1.141 . . . . 73.4 112.834 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.47 124.94 1.31 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 111.217 -0.753 . . . . 63.24 111.217 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -67.49 -40.07 85.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.834 0.349 . . . . 71.24 111.083 -172.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -111.47 13.11 21.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.859 0.361 . . . . 73.15 110.984 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.03 -79.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.914 0.388 . . . . 61.41 110.748 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -146.19 152.84 39.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.277 -0.42 . . . . 63.31 110.327 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -119.48 135.5 54.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.019 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.482 ' HB2' HD12 ' A' ' 29' ' ' LEU . 9.6 t -106.46 126.22 51.98 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.958 -0.756 . . . . 63.0 108.958 173.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.428 ' N ' HD13 ' A' ' 38' ' ' ILE . 3.8 mp -99.83 104.27 15.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.445 -0.576 . . . . 73.4 109.445 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.647 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 29.6 ttpt -87.02 116.0 24.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.777 -0.647 . . . . 73.43 110.219 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.405 HG12 ' HB3' ' A' ' 22' ' ' ALA . 61.4 t -113.07 104.28 16.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.958 -0.564 . . . . 63.22 109.497 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.718 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 39.6 mm -95.11 107.79 19.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.137 0.494 . . . . 73.31 110.785 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -151.06 136.36 17.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.532 -0.758 . . . . 71.22 109.52 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.1 m -70.37 -2.45 13.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.324 0.583 . . . . 73.12 110.486 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.98 -20.65 45.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.591 -0.731 . . . . 53.44 110.371 176.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.43 -10.84 47.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.468 -0.333 . . . . 70.44 111.504 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -81.08 127.61 32.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.179 -0.304 . . . . 75.13 110.179 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.07 2.23 58.18 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.723 -0.751 . . . . 61.23 112.033 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -92.51 132.98 36.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.142 -0.318 . . . . 74.22 110.142 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -75.91 157.04 33.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.095 -0.502 . . . . 74.4 110.283 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -54.82 -41.94 71.29 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.594 0.59 . . . . 71.43 112.594 -174.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.08 -44.33 96.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.701 -0.4 . . . . 63.51 110.404 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -64.31 -41.38 96.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.993 -0.549 . . . . 71.2 110.487 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' O ' HG12 ' A' ' 57' ' ' ILE . 54.2 mt-30 -57.7 -47.29 82.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.146 -0.479 . . . . 70.33 110.022 176.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -62.05 -48.12 81.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.757 -0.656 . . . . 75.33 110.028 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -54.52 -50.95 66.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.887 -0.597 . . . . 74.14 111.382 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.8 mtm -62.13 -47.81 82.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 75.15 111.128 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.498 HG12 ' O ' ' A' ' 53' ' ' GLN . 37.7 mm -64.36 -48.04 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.541 -0.299 . . . . 62.1 111.213 -178.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.474 ' HB3' HD23 ' A' ' 64' ' ' LEU . 17.9 m-85 -63.95 -31.21 72.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.514 -0.312 . . . . 75.23 111.001 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -73.07 -48.95 31.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.712 -0.222 . . . . 73.42 111.169 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.85 -34.74 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 120.863 0.363 . . . . 74.32 111.484 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -85.99 -15.49 41.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.756 0.312 . . . . 70.44 110.194 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 t70 55.97 77.79 0.22 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.182 -0.917 . . . . 64.21 110.774 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.5 83.69 0.1 Allowed Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.239 -0.892 . . . . 43.43 111.854 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.474 HD23 ' HB3' ' A' ' 58' ' ' TYR . 80.2 mt -83.15 -4.76 58.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.942 0.401 . . . . 64.45 110.907 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -79.91 -64.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.925 -0.58 . . . . 65.22 111.618 -176.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.2 tt -77.52 139.7 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.068 0.461 . . . . 65.41 111.142 -175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -120.58 84.72 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 73.33 109.949 177.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.93 123.63 21.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.647 -0.706 . . . . 64.03 110.228 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.436 ' N ' HD12 ' A' ' 69' ' ' ILE . 3.5 mp -81.09 83.78 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.824 0.821 . . . . 52.42 110.063 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -104.76 4.88 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.031 -0.986 . . . . 62.22 109.133 175.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 tp -96.95 122.83 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.957 -1.02 . . . . 73.11 109.242 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.534 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . 8.9 tp-100 -106.28 110.02 22.13 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.289 0.566 . . . . 75.12 110.829 -175.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.3 p -124.1 146.5 48.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.512 -0.767 . . . . 71.51 109.937 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.4 38.57 3.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.879 -0.677 . . . . 44.31 113.032 -176.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 37.7 t -100.48 150.12 22.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.865 -0.42 . . . . 54.21 109.865 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.49 ' HD2' ' N ' ' A' ' 76' ' ' LYS . 11.3 mptt . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.708 -0.663 . . . . 72.44 110.188 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 N--CA 1.483 0.862 0 N-CA-C 110.679 -0.547 . . . . 72.44 110.679 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.16 -110.51 3.53 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.286 -0.483 . . . . 35.53 113.537 172.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -63.42 -24.18 67.72 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 122.969 0.508 . . . . 54.01 112.287 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.4 mtt -82.74 -5.63 59.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.997 0.427 . . . . 73.21 111.012 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.6 p -125.33 174.12 8.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.063 -0.517 . . . . 71.41 110.238 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -121.4 133.0 69.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.135 0.493 . . . . 75.41 110.801 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -113.18 166.78 11.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.765 -0.652 . . . . 72.04 109.267 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -76.05 90.66 3.05 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.741 -0.466 . . . . 72.35 109.741 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -59.52 -34.64 72.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.523 -0.762 . . . . 75.12 111.469 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -64.1 -38.43 91.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.33 -0.396 . . . . 65.43 110.119 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.63 -50.58 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 71.13 110.225 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -52.85 -52.29 57.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.814 -0.63 . . . . 75.31 110.372 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.24 -47.36 86.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.6 -0.727 . . . . 73.45 111.305 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.97 -50.87 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.646 0.26 . . . . 72.01 111.166 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.5 mt -68.89 -39.76 80.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.308 -0.406 . . . . 75.31 110.781 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -66.26 -38.46 87.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 75.13 110.964 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.96 -32.92 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.441 -0.345 . . . . 71.44 110.603 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -49.94 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.39 -0.368 . . . . 63.32 111.212 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.71 96.95 19.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.85 0.357 . . . . 74.13 110.806 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.81 -12.09 26.18 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.844 2.363 . . . . 74.32 112.166 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -96.8 10.24 39.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 73.54 110.93 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.08 133.16 52.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.969 0.414 . . . . 74.4 111.124 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.802 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 2.5 mp0 -81.31 114.56 20.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.891 -0.595 . . . . 74.04 109.938 174.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.7 mt -92.93 111.02 23.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.71 -0.677 . . . . 75.31 110.418 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.454 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 27.3 m -127.78 105.68 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.03 0.443 . . . . 61.44 111.291 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.1 m -83.37 128.21 38.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.21 0.529 . . . . 74.44 110.664 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.2 m -106.28 125.02 50.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.996 -0.547 . . . . 63.14 109.758 178.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 p -91.73 125.04 36.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.664 0.268 . . . . 64.04 111.039 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -124.83 -160.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.291 -0.633 . . . . 71.35 109.291 176.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -66.13 135.77 27.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.907 -0.405 . . . . 73.4 109.907 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.37 46.59 5.77 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 110.752 -0.939 . . . . 63.24 110.752 -174.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -47.45 -68.66 0.17 Allowed 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.638 0.775 . . . . 71.24 112.543 -172.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -79.8 17.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.039 -0.528 . . . . 73.15 112.332 -168.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -124.04 -35.33 2.85 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.75 -0.38 . . . . 61.41 111.101 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -156.99 115.6 3.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.177 0.513 . . . . 63.31 111.778 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -103.87 157.83 16.82 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.038 -0.727 . . . . 71.31 109.038 172.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.9 m -90.44 118.69 30.11 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.785 -0.82 . . . . 63.0 108.785 173.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 tp -99.46 110.94 27.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.686 0.755 . . . . 73.4 111.03 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 68.9 mttm -86.16 109.55 18.96 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.146 -0.934 . . . . 73.43 109.588 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -97.25 103.94 15.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.338 -0.986 . . . . 63.22 108.338 172.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.802 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 21.1 mm -97.29 103.79 15.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.685 -0.689 . . . . 73.31 109.692 -175.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.4 t -149.14 135.08 18.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.244 -0.434 . . . . 71.22 110.562 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.5 t -61.23 -16.41 44.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 73.12 110.469 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -74.18 -14.24 60.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.738 -0.665 . . . . 53.44 111.417 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -92.84 -10.99 34.78 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.883 0.373 . . . . 70.44 111.012 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -94.81 125.6 39.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 75.13 110.465 -175.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.16 -22.67 39.69 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.868 -0.682 . . . . 61.23 111.467 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -70.51 151.71 44.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.785 -0.45 . . . . 74.22 109.785 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.632 ' HB3' ' HG3' ' A' ' 52' ' ' GLU . 19.3 t -66.28 149.46 50.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.175 -0.305 . . . . 74.4 110.175 176.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -64.21 -31.12 72.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.151 -0.314 . . . . 71.43 110.151 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.54 -44.13 97.11 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.621 -0.511 . . . . 63.51 109.621 175.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.632 ' HG3' ' HB3' ' A' ' 49' ' ' SER . 44.3 mt-10 -61.57 -49.09 78.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.778 -0.646 . . . . 71.2 109.823 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' O ' HG12 ' A' ' 57' ' ' ILE . 35.5 mt-30 -54.47 -47.06 73.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.526 -0.761 . . . . 70.33 111.289 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -64.13 -43.07 96.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.574 -0.285 . . . . 75.33 111.009 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -66.77 -41.96 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 74.14 111.332 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.403 ' O ' HG13 ' A' ' 60' ' ' VAL . 88.0 mtp -60.27 -50.29 74.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.415 -0.357 . . . . 75.15 110.217 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.742 ' HA ' HG23 ' A' ' 60' ' ' VAL . 39.1 mm -63.07 -38.0 80.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.186 0.517 . . . . 62.1 110.312 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.578 ' HD1' ' HB3' ' A' ' 65' ' ' ASN . 43.2 t80 -58.83 -38.51 78.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 75.23 110.416 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -85.88 -39.48 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.198 0.444 . . . . 73.42 112.198 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.742 HG23 ' HA ' ' A' ' 57' ' ' ILE . 33.7 m -67.1 -35.58 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 120.478 -0.489 . . . . 74.32 111.249 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.8 mt -79.2 -27.48 42.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.279 -0.637 . . . . 70.44 109.279 173.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 t70 53.75 73.07 0.4 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.749 -1.114 . . . . 64.21 110.816 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.87 -162.7 29.25 Favored Glycine 0 N--CA 1.439 -1.124 0 N-CA-C 110.635 -0.986 . . . . 43.43 110.635 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.4 mt -90.48 96.42 10.64 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.006 0.431 . . . . 64.45 111.004 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.578 ' HB3' ' HD1' ' A' ' 58' ' ' TYR . 40.6 t30 -84.0 111.58 19.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.754 -0.657 . . . . 65.22 109.612 176.46 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.7 pt -99.27 -39.29 7.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.828 -0.624 . . . . 65.41 112.532 -172.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -149.77 149.28 30.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.049 -0.352 . . . . 73.33 110.049 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.42 66.42 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.326 0.584 . . . . 64.03 110.923 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.5 mm -105.61 -45.63 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.695 -0.684 . . . . 52.42 110.44 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -78.76 -35.47 44.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.745 -0.662 . . . . 62.22 110.907 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.4 tp -97.37 129.95 46.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.107 -0.497 . . . . 73.11 111.188 -174.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 86.2 mt-30 -125.67 116.67 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.531 -0.544 . . . . 75.12 109.531 174.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -114.44 127.68 55.95 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.256 -0.429 . . . . 71.51 111.256 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.64 125.24 4.62 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.764 -0.732 . . . . 44.31 111.857 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.416 ' HB3' HD11 ' A' ' 41' ' ' ILE . 14.5 p -83.27 115.62 22.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.022 0.439 . . . . 54.21 110.38 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? . . . . . 0 C--O 1.253 1.255 0 CA-C-N 115.642 -0.708 . . . . 72.44 109.679 -179.884 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo . . . . . 0 N--CA 1.477 0.528 0 N-CA-C 110.629 -0.566 . . . . 72.44 110.629 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -99.22 -144.27 16.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.827 -0.701 . . . . 35.53 112.463 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 m -77.73 91.97 4.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.137 0.494 . . . . 54.01 110.358 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 83.9 mtp -94.99 137.56 33.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.935 -0.575 . . . . 73.21 110.57 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -84.27 152.52 24.12 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.09 -0.505 . . . . 71.41 110.628 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -93.5 150.85 3.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.169 0.509 . . . . 75.41 111.22 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.7 p -96.79 167.3 11.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.64 -0.709 . . . . 72.04 110.683 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.97 -17.85 62.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 72.35 110.43 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 m -61.39 -38.32 86.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.029 -0.532 . . . . 75.12 110.587 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.34 -43.29 99.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 65.43 110.032 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.16 -46.94 78.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.461 -0.791 . . . . 71.13 110.583 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 24' ' ' ILE . 29.8 mt-10 -57.82 -51.15 70.76 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.513 -0.312 . . . . 75.31 111.023 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' HG ' ' OD1' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -56.14 -48.13 76.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.449 -0.341 . . . . 73.45 110.91 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.56 -51.25 65.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.99 0.424 . . . . 72.01 111.115 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.41 ' HB ' ' CD1' ' A' ' 24' ' ' ILE . 48.4 mm -67.94 -39.69 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.798 -0.637 . . . . 75.31 110.75 -178.242 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -72.54 -24.03 61.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 75.13 111.227 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HG ' ' A' ' 13' ' ' LEU . 11.0 m120 -81.58 -44.71 16.89 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.821 -0.437 . . . . 71.44 109.821 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.98 80.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.002 -0.544 . . . . 63.32 110.857 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.564 ' HE2' ' HB ' ' A' ' 60' ' ' VAL . 91.7 m-85 -126.23 95.33 39.12 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.398 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.01 -15.31 46.52 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.893 2.395 . . . . 74.32 111.617 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -88.42 -11.43 46.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.332 -0.849 . . . . 73.54 110.917 -177.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.483 ' HA ' ' HB2' ' A' ' 42' ' ' SER . . . -96.06 129.44 43.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.366 0.506 . . . . 74.4 112.366 -170.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.597 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 60.7 mm-40 -88.77 124.8 34.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.558 -0.747 . . . . 74.04 109.345 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 12' ' ' GLU . 33.3 mt -94.13 110.75 24.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.442 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.529 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 15.6 m -109.64 105.79 15.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.839 0.352 . . . . 61.44 110.62 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.15 106.54 15.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.466 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.0 m -96.78 123.35 40.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 63.14 110.515 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.406 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 23.1 t -78.97 134.52 36.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.225 -0.443 . . . . 64.04 110.105 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 35' ' ' HIS . 62.5 mt -102.01 125.29 48.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.014 0.435 . . . . 71.35 110.251 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -65.88 167.43 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 73.4 112.16 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.05 -134.03 9.64 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.953 -0.641 . . . . 63.24 112.063 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -136.05 0.25 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.385 0.612 . . . . 71.24 110.407 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -100.48 146.6 26.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 73.15 109.966 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.94 80.0 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.208 -0.664 . . . . 61.41 109.208 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.591 ' HB3' HD12 ' A' ' 29' ' ' LEU . 1.4 m-70 -122.9 135.98 54.7 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.509 -0.769 . . . . 63.31 110.097 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.406 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 95.2 m-85 -132.28 159.08 40.17 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.909 -0.587 . . . . 71.31 110.085 177.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.2 m -118.54 119.31 34.14 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.058 -0.719 . . . . 63.0 109.058 171.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 pt -99.36 105.64 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.644 0.735 . . . . 73.4 109.981 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 39.2 ttpt -85.97 113.22 21.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.083 -0.962 . . . . 73.43 110.16 -177.296 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.409 HG12 ' HB2' ' A' ' 22' ' ' ALA . 45.8 t -91.99 107.09 18.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.288 -0.869 . . . . 63.22 110.184 -179.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.597 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 47.9 mm -94.89 103.9 15.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.334 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.483 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 37.2 t -157.35 130.96 7.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 71.22 110.698 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.3 t -66.28 -13.55 60.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 73.12 110.451 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -62.93 -26.45 68.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 53.44 110.739 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -89.11 -9.87 49.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.033 0.444 . . . . 70.44 110.812 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.42 137.57 32.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.291 -0.633 . . . . 75.13 109.291 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.43 -9.28 62.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.191 -0.528 . . . . 61.23 112.445 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 12.2 mptt -103.81 149.44 25.04 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.195 -0.298 . . . . 74.22 110.195 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.522 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 44.4 m -84.46 171.08 12.87 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.227 -0.286 . . . . 74.4 110.227 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -51.84 -46.09 64.23 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.724 0.638 . . . . 71.43 112.724 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.55 -47.47 85.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.825 0.345 . . . . 63.51 110.551 -176.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -58.72 -46.08 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 71.2 110.616 177.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.522 ' HG3' ' O ' ' A' ' 49' ' ' SER . 49.9 mt-30 -60.09 -47.29 86.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 70.33 110.807 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.15 -41.27 99.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.315 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 22.9 mtt180 -64.74 -37.19 86.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.505 -0.316 . . . . 74.14 111.469 178.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 74.1 mtm -65.63 -36.84 84.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.873 0.368 . . . . 75.15 110.122 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.804 HG22 HD12 ' A' ' 71' ' ' ILE . 86.3 mt -61.73 -41.48 90.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.971 -0.559 . . . . 62.1 110.209 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -64.59 -35.06 79.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.638 177.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 55' ' ' ARG . 54.9 mtpt -65.09 -51.66 60.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 73.42 111.54 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.564 ' HB ' ' HE2' ' A' ' 19' ' ' PHE . 7.7 p -72.87 -36.47 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 74.32 112.116 -173.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.506 HD11 ' O ' ' A' ' 61' ' ' LEU . 2.2 tm? -89.43 -26.87 20.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.67 0.271 . . . . 70.44 110.559 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 57.05 70.16 0.68 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.343 0.592 . . . . 64.21 109.655 -171.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.5 -157.52 22.63 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.642 -0.789 . . . . 43.43 112.67 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -149.85 -164.66 2.07 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.195 -0.668 . . . . 64.45 109.195 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -70.22 83.2 0.54 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.636 0.731 . . . . 65.22 111.209 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 pt -104.78 177.64 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.699 -0.682 . . . . 65.41 110.711 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -135.21 -10.14 2.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 73.33 110.671 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.48 149.76 26.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.841 0.353 . . . . 64.03 110.948 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.3 mt -109.59 95.49 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.219 -0.446 . . . . 52.42 110.183 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -106.26 -13.86 15.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 62.22 110.979 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.804 HD12 HG22 ' A' ' 57' ' ' ILE . 17.4 tt -119.98 138.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.093 0.473 . . . . 73.11 111.18 -175.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 6.3 tp60 -133.49 148.87 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.703 -0.851 . . . . 75.12 108.703 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.4 p -120.54 141.62 50.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.12 0.486 . . . . 71.51 111.529 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.458 ' HA3' HD12 ' A' ' 41' ' ' ILE . . . -86.75 82.37 1.64 Allowed Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.226 -0.75 . . . . 44.31 111.226 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 39.2 m -116.39 136.43 53.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.848 -0.176 . . . . 54.21 110.994 -176.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.278 -0.867 . . . . 72.44 110.56 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo . . . . . 0 N--CA 1.479 0.62 0 N-CA-C 110.495 -0.617 . . . . 72.44 110.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.98 -102.1 1.13 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.807 -0.711 . . . . 35.53 111.504 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m -135.54 145.76 47.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.348 -0.241 . . . . 54.01 110.348 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.7 ttt -78.96 69.97 5.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.373 -0.602 . . . . 73.21 109.373 175.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -86.61 110.26 19.71 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.602 -0.726 . . . . 71.41 111.84 -175.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.53 132.78 34.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.654 -0.869 . . . . 75.41 108.654 172.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -87.93 158.64 18.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.98 -0.378 . . . . 72.04 109.98 -178.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -89.42 93.32 9.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.967 0.413 . . . . 72.35 109.911 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m -65.3 -26.26 67.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.635 -0.711 . . . . 75.12 110.892 -176.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -66.45 -40.84 89.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 65.43 110.297 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.6 -41.83 83.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.42 -0.585 . . . . 71.13 109.42 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.44 -41.17 98.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 75.31 110.372 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.09 -39.71 90.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 73.45 110.302 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 tp -60.37 -50.8 72.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.158 -0.474 . . . . 72.01 110.402 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.16 -35.43 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.643 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.468 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -68.4 -33.1 73.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.532 -178.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -81.17 -29.58 34.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.937 -0.305 . . . . 71.44 110.905 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.0 -55.3 5.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.374 . . . . 63.32 110.991 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -132.32 84.0 53.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.13 109.885 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.93 -43.52 6.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.812 2.342 . . . . 74.32 113.445 -173.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.52 -2.45 58.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.464 -0.335 . . . . 73.54 111.789 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.2 162.99 21.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.5 -0.318 . . . . 74.4 110.694 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.939 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 7.6 tp10 -74.98 103.73 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.698 -0.482 . . . . 74.04 109.698 176.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.99 110.83 23.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.86 -0.609 . . . . 75.31 110.073 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.9 m -132.33 123.59 27.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.334 -0.393 . . . . 61.44 110.593 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 m -93.15 120.61 42.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.106 0.479 . . . . 74.44 109.773 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.94 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 31.4 m -93.23 105.21 17.32 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.069 0.462 . . . . 63.14 110.059 -177.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -89.61 108.47 19.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.704 -0.68 . . . . 64.04 109.952 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -128.44 -170.02 2.18 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.646 -0.707 . . . . 71.35 109.534 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.96 96.43 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.929 0.871 . . . . 73.4 110.236 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.99 40.93 1.42 Allowed Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.101 -0.954 . . . . 63.24 111.112 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 60.01 20.18 9.29 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.055 0.542 . . . . 71.24 110.85 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.8 18.5 9.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.422 -0.808 . . . . 73.15 111.285 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -119.45 -55.32 2.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.381 -0.372 . . . . 61.41 110.959 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.433 ' HB3' HE22 ' A' ' 70' ' ' GLN . 5.0 m80 -99.79 123.2 43.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.004 0.43 . . . . 63.31 111.362 -177.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -116.09 163.7 15.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.593 -0.73 . . . . 71.31 109.402 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.94 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 28.4 m -86.46 139.08 31.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.961 0.41 . . . . 63.0 110.756 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.02 113.89 36.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.517 -0.549 . . . . 73.4 109.517 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -110.97 116.72 31.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.041 0.448 . . . . 73.43 110.413 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.49 107.58 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.943 -0.571 . . . . 63.22 110.056 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.939 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 49.7 mm -96.13 107.62 19.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.176 0.512 . . . . 73.31 110.188 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -141.98 147.8 37.54 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.711 -0.677 . . . . 71.22 109.857 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -63.91 -14.42 53.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.39 -0.368 . . . . 73.12 110.961 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.54 -15.29 61.77 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.894 0.378 . . . . 53.44 110.757 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.42 ' HB3' ' CA ' ' A' ' 74' ' ' GLY . 60.2 m-85 -105.83 -10.56 16.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 70.44 111.009 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -87.64 133.15 33.87 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.922 0.391 . . . . 75.13 110.588 -173.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.96 12.95 83.0 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.982 -0.553 . . . . 61.23 112.7 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -93.68 143.11 26.61 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.853 -0.425 . . . . 74.22 109.853 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.8 m -79.63 170.89 15.89 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.581 -0.526 . . . . 74.4 109.581 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 50' ' ' LYS . 9.9 mtmp? -53.43 -42.7 67.35 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.774 0.287 . . . . 71.43 111.774 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.62 -56.1 24.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.674 0.274 . . . . 63.51 110.774 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -57.89 -43.68 86.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.935 -0.575 . . . . 71.2 111.462 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' O ' HG12 ' A' ' 57' ' ' ILE . 46.5 mt-30 -65.39 -43.58 90.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.618 -0.264 . . . . 70.33 111.138 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.417 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 37.9 m170 -60.81 -41.48 95.77 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.844 -0.428 . . . . 75.33 109.844 178.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.64 -46.06 91.73 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.7 -0.682 . . . . 74.14 111.111 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.4 mmm -62.03 -44.65 96.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.063 -0.517 . . . . 75.15 110.943 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.525 ' HA ' HG11 ' A' ' 60' ' ' VAL . 40.3 mm -68.12 -38.22 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 62.1 110.461 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.03 -31.78 72.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.117 0.484 . . . . 75.23 110.332 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -75.06 -46.64 33.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.789 -0.641 . . . . 73.42 110.931 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.525 HG11 ' HA ' ' A' ' 57' ' ' ILE . 11.4 p -71.83 -38.53 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 120.647 0.26 . . . . 74.32 111.281 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.463 ' HG ' HG13 ' A' ' 60' ' ' VAL . 90.8 mt -98.93 35.89 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.113 0.482 . . . . 70.44 110.362 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.11 140.43 52.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.35 -0.841 . . . . 64.21 111.729 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.88 -43.16 0.84 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.098 -0.801 . . . . 43.43 111.098 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.8 mt -139.68 175.29 9.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.395 -0.594 . . . . 64.45 109.395 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -78.85 78.4 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.679 -1.23 . . . . 65.22 107.679 171.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.3 tp -66.05 114.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.748 -1.114 . . . . 65.41 113.305 -166.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -77.04 90.02 3.59 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 107.365 -1.346 . . . . 73.33 107.365 165.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.1 120.19 14.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.597 -0.729 . . . . 64.03 112.134 -171.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.602 HG22 ' HG3' ' A' ' 70' ' ' GLN . 59.6 mt -123.9 146.56 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.509 -0.923 . . . . 52.42 108.509 173.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.613 ' HB3' ' HA ' ' A' ' 37' ' ' SER . 97.0 mt-30 68.26 21.4 8.48 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.596 0.56 . . . . 62.22 110.848 -178.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.2 tp -97.26 126.25 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.72 -0.673 . . . . 73.11 109.197 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -123.92 107.81 11.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.176 0.513 . . . . 75.12 109.685 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 p -155.81 145.1 20.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.365 -0.834 . . . . 71.51 110.669 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.42 ' CA ' ' HB3' ' A' ' 45' ' ' PHE . . . 66.67 -131.83 31.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.072 -0.585 . . . . 44.31 113.857 171.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 51.0 t -125.31 117.22 23.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.264 0.554 . . . . 54.21 111.203 -173.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? . . . . . 0 C--O 1.249 1.052 0 CA-C-N 115.444 -0.798 . . . . 72.44 109.445 176.759 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo . . . . . 0 N--CA 1.476 0.464 0 N-CA-C 110.261 -0.707 . . . . 72.44 110.261 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.71 152.08 18.15 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.642 -0.789 . . . . 35.53 112.57 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -137.3 133.25 34.76 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.555 -0.535 . . . . 54.01 109.555 177.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.0 mtp -103.79 71.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.838 0.351 . . . . 73.21 110.455 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 m -76.99 111.09 12.17 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.138 -0.483 . . . . 71.41 109.755 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.0 p -95.07 133.08 37.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.062 0.458 . . . . 75.41 110.723 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.06 176.8 6.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.555 . . . . 72.04 109.694 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -119.21 81.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.857 0.36 . . . . 72.35 110.388 -176.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -52.03 -52.87 48.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.734 0.642 . . . . 75.12 112.734 -172.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -70.89 -25.26 62.71 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.858 -0.337 . . . . 65.43 111.071 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.06 -50.94 24.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.132 -0.692 . . . . 71.13 109.132 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.501 ' HG3' HG23 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -51.27 -47.2 62.57 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.043 -0.526 . . . . 75.31 110.426 173.509 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.47 -47.48 83.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.671 -0.695 . . . . 73.45 110.671 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.74 -48.58 80.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.849 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.24 -41.22 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.38 . . . . 75.31 110.838 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -66.01 -30.98 71.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 75.13 111.06 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -80.42 -32.99 37.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.511 -0.313 . . . . 71.44 111.018 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.26 -47.44 43.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.134 0.493 . . . . 63.32 110.433 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -131.58 99.46 17.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.607 -0.724 . . . . 74.13 109.812 178.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.7 -26.76 45.49 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.63 2.22 . . . . 74.32 112.101 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -96.54 35.33 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.625 -0.716 . . . . 73.54 110.365 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.45 139.86 49.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 74.4 111.993 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.674 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 13.9 mm-40 -91.48 119.72 31.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.58 -0.736 . . . . 74.04 109.516 171.38 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.501 HG23 ' HG3' ' A' ' 12' ' ' GLU . 4.6 mp -99.92 110.98 28.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.816 0.341 . . . . 75.31 110.115 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 22.9 m -115.31 107.75 15.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.058 0.456 . . . . 61.44 111.049 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.7 t -84.05 107.77 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.865 -0.607 . . . . 74.44 109.64 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -109.27 142.68 39.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.38 0.61 . . . . 63.14 111.503 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 m -93.64 130.9 39.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.35 -0.841 . . . . 64.04 109.8 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.02 -36.75 75.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.568 -0.287 . . . . 71.35 111.032 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t 61.72 89.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.527 0.679 . . . . 73.4 109.785 -175.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.52 -41.24 1.57 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.181 -1.167 . . . . 63.24 110.181 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -117.47 102.41 9.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.411 -0.959 . . . . 71.24 108.411 169.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -112.55 17.31 19.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.792 0.329 . . . . 73.15 111.834 -173.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.33 -30.03 68.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.208 0.528 . . . . 61.41 110.347 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.39 163.88 32.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.592 -0.731 . . . . 63.31 109.361 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -105.77 153.38 21.96 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.371 -0.604 . . . . 71.31 109.371 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m -91.75 133.93 35.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.851 0.358 . . . . 63.0 110.703 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mm -99.61 107.27 20.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.087 -0.506 . . . . 73.4 109.886 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 54.0 mtpt -92.45 121.51 33.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.003 -0.544 . . . . 73.43 110.116 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.86 111.83 37.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.99 -0.55 . . . . 63.22 110.552 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.674 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 45.7 mm -105.52 98.62 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.621 -0.511 . . . . 73.31 109.621 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.402 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 27.2 t -131.94 141.98 49.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.107 0.48 . . . . 71.22 111.208 -178.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.3 m -66.53 -5.12 10.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.46 -0.791 . . . . 73.12 111.047 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -84.77 -6.45 59.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.282 -0.417 . . . . 53.44 111.235 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.402 ' CD2' ' HB3' ' A' ' 42' ' ' SER . 67.6 m-85 -102.92 8.46 39.11 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 111.973 0.36 . . . . 70.44 111.973 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -72.13 123.5 23.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.57 0.7 . . . . 75.13 111.099 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.4 9.37 86.58 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.437 -0.801 . . . . 61.23 113.118 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.417 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 3.7 mptp? -81.73 130.86 35.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.452 0.644 . . . . 74.22 111.034 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.422 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 22.8 p -85.0 163.84 18.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.834 -1.075 . . . . 74.4 109.831 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -59.08 -39.97 83.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 121.062 -0.255 . . . . 71.43 111.088 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.42 -49.14 78.77 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.174 0.512 . . . . 63.51 109.843 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.417 ' CD ' ' HG3' ' A' ' 48' ' ' LYS . 62.8 tt0 -59.62 -49.6 77.13 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.179 -0.919 . . . . 71.2 110.706 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HG3' ' O ' ' A' ' 49' ' ' SER . 79.7 mt-30 -55.21 -47.6 75.07 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.998 -0.546 . . . . 70.33 110.745 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -60.41 -45.93 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 75.33 110.649 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -61.41 -42.86 99.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 111.627 0.232 . . . . 74.14 111.627 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 73.3 mtm -63.35 -46.84 84.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.543 0.211 . . . . 75.15 111.165 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.564 HD13 HG21 ' A' ' 71' ' ' ILE . 82.7 mt -59.58 -47.27 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.182 0.515 . . . . 62.1 110.281 177.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -61.27 -32.49 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.573 -0.74 . . . . 75.23 110.944 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -75.1 -50.61 15.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.536 . . . . 73.42 111.261 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.11 -34.62 64.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.641 -0.254 . . . . 74.32 111.336 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -79.22 -38.89 34.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.685 -0.487 . . . . 70.44 109.685 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 50.55 75.35 0.18 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.496 -0.775 . . . . 64.21 111.347 -177.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 174.01 -162.5 33.12 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 110.343 -1.103 . . . . 43.43 110.343 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.92 114.75 26.4 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.955 0.407 . . . . 64.45 110.185 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -93.07 114.9 27.56 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.978 -0.555 . . . . 65.22 109.883 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.5 mm -63.23 138.87 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 65.41 109.683 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -72.1 84.26 1.0 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.08 0.467 . . . . 73.33 110.625 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.29 -173.5 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.206 -0.906 . . . . 64.03 109.259 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.8 mm -95.1 77.25 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.266 0.555 . . . . 52.42 111.35 -174.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -94.24 -45.2 7.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.681 0.753 . . . . 62.22 109.555 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.564 HG21 HD13 ' A' ' 57' ' ' ILE . 2.7 tp -114.46 126.04 71.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.933 -1.03 . . . . 73.11 110.169 -175.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 10.1 mm100 -127.0 120.41 28.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.968 0.413 . . . . 75.12 110.67 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 m -116.05 119.98 37.6 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.679 -0.489 . . . . 71.51 109.679 175.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.39 173.71 17.68 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.687 -0.768 . . . . 44.31 111.646 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 8.9 p -132.18 164.46 26.27 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.616 0.245 . . . . 54.21 110.93 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.621 -0.705 . . . . 72.44 110.152 177.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 N--CA 1.478 0.601 0 N-CA-C 110.483 -0.622 . . . . 72.44 110.483 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.82 85.42 0.08 OUTLIER Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.742 -0.742 . . . . 35.53 111.628 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -93.92 86.18 4.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.014 0.435 . . . . 54.01 111.702 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -78.61 -24.92 45.13 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.051 -0.722 . . . . 73.21 109.051 170.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -64.56 135.54 56.09 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.938 -1.028 . . . . 71.41 110.617 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p -86.83 138.34 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.364 -0.606 . . . . 75.41 109.364 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.432 HG23 HG23 ' A' ' 26' ' ' VAL . 38.0 p -98.33 159.07 15.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.14 0.495 . . . . 72.04 111.54 -175.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -99.82 99.84 10.7 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.796 -0.816 . . . . 72.35 108.796 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 t -55.16 -38.49 68.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.928 -1.033 . . . . 75.12 111.611 -171.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.35 -53.98 52.03 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.128 -0.229 . . . . 65.43 111.238 -177.028 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.495 HD12 ' N ' ' A' ' 12' ' ' GLU . 4.6 pp -71.62 -33.51 69.03 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.842 -0.343 . . . . 71.13 111.39 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.14 -49.66 69.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.103 0.478 . . . . 75.31 109.823 177.132 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.582 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 2.3 tt -60.34 -36.37 77.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.405 -0.816 . . . . 73.45 110.733 177.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.54 -50.89 72.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 72.01 110.203 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 11' ' ' LEU . 49.6 mm -62.71 -44.58 99.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.998 0.428 . . . . 75.31 110.534 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 tpt85 -64.15 -37.68 88.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 75.13 111.457 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.582 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 22.0 m-80 -80.83 -34.63 33.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.467 -0.333 . . . . 71.44 111.14 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -43.86 78.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.767 0.317 . . . . 63.32 110.354 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.16 104.86 16.48 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.527 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.2 -13.43 36.05 Favored 'Trans proline' 0 CA--C 1.528 0.199 0 C-N-CA 122.71 2.273 . . . . 74.32 111.954 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -98.97 16.57 22.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.716 -0.675 . . . . 73.54 110.198 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.9 129.64 51.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.961 -0.563 . . . . 74.4 111.714 -176.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.719 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 37.3 tt0 -100.0 117.63 34.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.289 -0.869 . . . . 74.04 109.038 172.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.407 ' N ' HD12 ' A' ' 24' ' ' ILE . 4.4 mp -96.23 110.69 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.963 -0.384 . . . . 75.31 109.963 -178.13 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.536 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 89.4 m -116.7 108.28 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.787 0.327 . . . . 61.44 110.505 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.432 HG23 HG23 ' A' ' 7' ' ' THR . 19.1 m -84.3 126.27 40.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.253 0.549 . . . . 74.44 110.449 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.432 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 17.1 m -121.68 122.71 40.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.89 -0.596 . . . . 63.14 111.055 -177.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.0 t -78.82 122.08 25.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.215 -0.661 . . . . 64.04 109.215 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 35' ' ' HIS . 10.7 mp -66.54 105.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 71.35 110.827 -177.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.36 134.14 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 73.4 110.785 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.14 -69.78 0.28 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.831 -0.699 . . . . 63.24 111.887 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.39 -40.78 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.668 0.27 . . . . 71.24 111.297 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.73 43.83 14.93 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.587 0.708 . . . . 73.15 109.294 -169.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -65.72 -25.93 67.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.395 -0.82 . . . . 61.41 110.612 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.469 ' O ' HD13 ' A' ' 29' ' ' LEU . 72.7 m80 -146.43 172.45 13.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.56 -0.904 . . . . 63.31 108.56 178.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.37 126.86 55.74 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.147 -0.686 . . . . 71.31 109.147 174.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.436 ' HB2' HD12 ' A' ' 29' ' ' LEU . 28.0 t -86.79 120.9 28.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.976 0.417 . . . . 63.0 110.149 -176.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 tt -100.06 105.61 17.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.592 0.711 . . . . 73.4 110.222 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.536 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 27.2 mtpp -85.9 109.56 18.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.472 -0.785 . . . . 73.43 109.227 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.51 ' HB ' HG22 ' A' ' 73' ' ' THR . 41.3 t -101.25 104.26 16.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.17 0.51 . . . . 63.22 109.937 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.719 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 48.6 mm -95.95 105.4 17.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.679 -0.691 . . . . 73.31 109.851 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.453 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 18.8 m -138.86 133.38 31.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.959 -0.564 . . . . 71.22 110.077 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 t -62.05 -19.97 63.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.725 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -23.83 67.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 53.44 111.201 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.453 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 75.0 m-85 -88.33 -5.03 58.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.561 0.219 . . . . 70.44 111.093 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -65.06 116.6 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 75.13 111.028 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.96 17.98 78.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.99 -0.624 . . . . 61.23 113.277 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.772 ' HE2' ' HG3' ' A' ' 52' ' ' GLU . 14.1 mmmm -89.9 142.3 27.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.055 0.427 . . . . 74.22 110.337 177.509 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.03 167.8 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.733 -0.667 . . . . 74.4 111.114 -179.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -66.75 -31.11 71.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.404 . . . . 71.43 110.451 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.1 -39.47 94.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.314 0.578 . . . . 63.51 110.194 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.772 ' HG3' ' HE2' ' A' ' 48' ' ' LYS . 44.3 mm-40 -59.79 -44.9 93.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.152 -0.931 . . . . 71.2 109.87 176.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.05 -44.43 87.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.597 -0.729 . . . . 70.33 110.186 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -55.62 -51.58 66.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.649 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -56.49 -53.73 54.06 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.262 0.351 . . . . 74.14 111.12 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.2 mmm -57.07 -53.68 55.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.9 -0.591 . . . . 75.15 111.387 -175.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.569 HG21 HD11 ' A' ' 71' ' ' ILE . 71.0 mt -61.57 -45.75 98.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.467 -0.333 . . . . 62.1 111.014 -178.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.568 ' HE1' ' HA ' ' A' ' 66' ' ' ILE . 11.7 t80 -64.78 -31.67 73.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.957 -0.565 . . . . 75.23 111.308 -176.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.732 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -84.05 -44.13 14.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.565 -0.289 . . . . 73.42 111.569 -179.538 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.55 -49.25 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 74.32 111.098 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.406 ' CD2' HD12 ' A' ' 71' ' ' ILE . 4.6 mm? -87.58 24.3 1.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.217 0.532 . . . . 70.44 110.368 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.68 101.45 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.556 -0.747 . . . . 64.21 111.404 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.03 54.04 0.47 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 109.943 -1.263 . . . . 43.43 109.943 172.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt 67.48 15.2 9.8 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.396 0.617 . . . . 64.45 110.525 -171.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.64 97.27 9.61 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.691 -0.686 . . . . 65.22 109.721 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.568 ' HA ' ' HE1' ' A' ' 58' ' ' TYR . 57.3 mt -64.16 -34.12 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.766 -0.652 . . . . 65.41 110.596 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -150.55 101.93 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 73.33 110.36 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.84 135.67 37.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.237 -0.438 . . . . 64.03 110.276 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.0 pt -114.38 1.51 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.519 -0.309 . . . . 52.42 111.796 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.6 pm0 -103.5 4.29 35.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.048 0.452 . . . . 62.22 110.848 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.569 HD11 HG21 ' A' ' 57' ' ' ILE . 11.5 tt -105.61 139.56 26.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 73.11 111.438 -175.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.476 ' OE1' ' HG2' ' A' ' 39' ' ' LYS . 45.8 tt0 -127.57 108.62 10.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.72 -0.474 . . . . 75.12 109.72 172.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.51 HG22 ' HB ' ' A' ' 40' ' ' VAL . 14.6 p -115.17 132.97 56.44 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.248 -0.433 . . . . 71.51 110.768 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 164.49 -173.54 40.45 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.394 -0.907 . . . . 44.31 112.589 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 78.5 m -134.28 162.47 32.09 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.935 -0.394 . . . . 54.21 109.935 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.653 ' HZ3' ' HB3' ' A' ' 76' ' ' LYS . 9.9 mtpm? . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.837 -0.601 . . . . 72.44 109.429 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.479 0.669 0 N-CA-C 110.649 -0.558 . . . . 72.44 110.649 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.93 -133.42 6.59 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.751 -0.738 . . . . 35.53 111.875 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 t -115.13 159.65 20.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.784 0.326 . . . . 54.01 110.302 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 ptm -129.66 7.88 5.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.198 0.523 . . . . 73.21 109.826 177.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 m -71.87 113.78 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.638 -0.71 . . . . 71.41 110.202 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.7 m -89.62 165.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.964 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -111.26 158.42 19.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.115 -0.493 . . . . 72.04 109.948 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.463 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . 13.8 mm100 -86.87 73.87 9.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.836 -0.431 . . . . 72.35 109.836 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -66.88 -39.34 87.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.184 -0.462 . . . . 75.12 111.191 -174.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -68.43 -37.3 80.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.989 0.424 . . . . 65.43 110.3 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' HB2' ' HB3' ' A' ' 8' ' ' GLN . 7.5 mp -71.91 -36.96 70.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.91 -0.586 . . . . 71.13 110.236 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.47 -50.05 75.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.353 -0.61 . . . . 75.31 109.353 174.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.79 -40.65 76.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.282 -0.872 . . . . 73.45 110.231 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.3 tp -58.84 -51.08 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.276 -0.42 . . . . 72.01 110.789 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mm -70.25 -43.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.998 -0.547 . . . . 75.31 110.894 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -65.34 -32.0 73.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.396 -0.366 . . . . 75.13 111.263 -178.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.63 -35.73 33.57 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.16 -0.337 . . . . 71.44 110.583 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -45.8 67.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.305 -0.407 . . . . 63.32 110.69 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.32 98.27 23.61 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.938 -0.574 . . . . 74.13 110.0 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.16 -10.38 27.21 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.657 2.238 . . . . 74.32 111.63 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -103.78 18.46 21.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.449 -0.796 . . . . 73.54 110.679 -178.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.53 139.89 49.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.499 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -98.54 147.01 25.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.188 0.518 . . . . 74.04 111.721 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.528 HG23 HG23 ' A' ' 38' ' ' ILE . 3.8 mp -103.96 111.06 32.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.371 -0.831 . . . . 75.31 110.65 -177.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.409 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 17.2 m -106.5 105.52 15.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.157 -0.474 . . . . 61.44 110.079 177.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.429 HG23 HG12 ' A' ' 38' ' ' ILE . 48.2 t -86.36 113.39 24.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.184 0.516 . . . . 74.44 110.886 -176.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.9 m -98.34 120.08 38.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.474 -0.784 . . . . 63.14 110.171 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p -89.44 111.91 22.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.993 0.425 . . . . 64.04 110.483 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' N ' HD22 ' A' ' 29' ' ' LEU . 2.9 mm? -88.28 77.84 8.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.935 -0.394 . . . . 71.35 109.935 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -81.71 90.21 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.24 0.543 . . . . 73.4 110.465 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.406 ' O ' ' HB2' ' A' ' 32' ' ' ASP . . . -147.26 74.86 0.28 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.476 -0.784 . . . . 63.24 111.671 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 3.8 m-20 71.22 7.92 6.26 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.232 0.613 . . . . 71.24 111.611 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -158.97 163.68 36.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.914 -0.402 . . . . 73.15 109.914 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -103.96 84.72 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.271 -0.422 . . . . 61.41 110.695 176.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 41.1 t-80 -112.09 128.85 56.32 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.523 -0.547 . . . . 63.31 109.523 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -116.92 127.39 54.2 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.768 0.318 . . . . 71.31 110.194 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.3 m -119.76 133.42 55.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.02 -0.536 . . . . 63.0 109.869 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.528 HG23 HG23 ' A' ' 24' ' ' ILE . 53.4 mt -99.85 119.58 48.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.316 -0.402 . . . . 73.4 111.185 -177.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.585 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 28.7 mtpp -90.96 120.73 32.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.861 -0.608 . . . . 73.43 110.015 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.5 t -90.03 109.16 20.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.62 -0.718 . . . . 63.22 109.74 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -101.9 117.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.698 -0.683 . . . . 73.31 110.805 -176.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -161.05 144.99 13.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.731 -0.668 . . . . 71.22 109.617 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.5 m -66.21 -11.51 50.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 73.12 111.035 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -79.81 -13.03 59.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 53.44 110.566 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -95.67 -10.55 29.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.159 0.504 . . . . 70.44 110.005 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -75.98 130.99 39.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.459 -0.571 . . . . 75.13 109.459 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.12 -23.92 34.03 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.731 -0.747 . . . . 61.23 111.799 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.78 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.9 mmpt? -63.35 145.95 54.52 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.916 0.389 . . . . 74.22 110.727 173.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.4 m -80.35 156.5 26.71 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.136 -0.69 . . . . 74.4 109.136 171.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.91 -41.77 75.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.898 0.38 . . . . 71.43 110.467 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.76 -42.49 99.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.808 -0.633 . . . . 63.51 110.108 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.96 -52.7 63.24 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.88 0.372 . . . . 71.2 110.586 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.437 ' O ' HG12 ' A' ' 57' ' ' ILE . 79.9 mt-30 -59.87 -41.32 91.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.645 -0.707 . . . . 70.33 110.672 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -64.54 -40.2 95.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.329 -0.396 . . . . 75.33 111.232 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -66.58 -49.84 65.04 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.962 0.164 . . . . 74.14 111.288 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.7 ptm -62.38 -39.32 92.83 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.895 -0.322 . . . . 75.15 110.705 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 53' ' ' GLN . 34.9 mm -69.49 -43.19 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.378 . . . . 62.1 110.48 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -57.75 -37.17 73.17 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.822 -0.626 . . . . 75.23 110.66 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -79.82 -50.42 10.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.611 . . . . 73.42 111.328 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.54 -38.31 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.464 -0.335 . . . . 74.32 111.887 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.05 -2.61 38.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.798 -0.183 . . . . 70.44 111.2 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 58.18 29.69 18.31 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.369 0.604 . . . . 64.21 111.411 172.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.91 112.0 4.3 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.749 -0.738 . . . . 43.43 111.421 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 tt -100.5 114.04 27.32 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.867 -0.42 . . . . 64.45 109.867 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 t30 55.54 78.55 0.19 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.575 -0.738 . . . . 65.22 111.312 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tp -163.23 139.12 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.396 -0.82 . . . . 65.41 109.995 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -85.57 73.68 10.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.264 0.554 . . . . 73.33 110.259 176.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.81 77.78 6.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.684 -0.689 . . . . 64.03 110.808 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 pt -81.05 38.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.44 0.638 . . . . 52.42 110.772 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -89.26 -28.66 19.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.57 -0.741 . . . . 62.22 110.14 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.6 tt -122.65 129.08 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.048 -0.524 . . . . 73.11 110.818 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.585 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 9.1 mm100 -124.4 148.01 47.86 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.527 -0.76 . . . . 75.12 109.201 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 p -108.91 -174.3 2.48 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.901 -0.319 . . . . 71.51 111.179 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.26 96.72 2.09 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.674 -0.774 . . . . 44.31 111.585 176.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 65.4 m -80.73 154.51 27.21 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.059 -0.349 . . . . 54.21 110.059 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.275 -0.869 . . . . 72.44 111.137 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo . . . . . 0 N--CA 1.478 0.616 0 N-CA-C 110.542 -0.599 . . . . 72.44 110.542 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.09 80.12 0.83 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.614 -0.803 . . . . 35.53 112.064 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 p -102.89 149.85 24.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.781 0.324 . . . . 54.01 110.701 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.8 ptp -76.28 -20.9 56.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.544 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 p -76.02 110.27 10.36 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.975 -0.557 . . . . 71.41 110.855 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -104.89 137.14 35.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.96 -0.564 . . . . 75.41 110.979 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.534 HG22 HG21 ' A' ' 26' ' ' VAL . 14.6 t -113.07 179.56 3.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 72.04 109.49 176.586 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.486 ' HG3' ' H ' ' A' ' 11' ' ' LEU . 6.1 tp-100 -64.01 112.28 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.959 -0.386 . . . . 72.35 109.959 176.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -57.06 -34.42 68.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.748 -0.66 . . . . 75.12 111.387 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.63 -37.35 84.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 65.43 110.571 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 3.0 tt -70.84 -42.0 70.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.382 -0.599 . . . . 71.13 109.382 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -58.22 -48.61 79.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.693 -0.685 . . . . 75.31 109.649 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.07 -38.25 82.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.435 -0.802 . . . . 73.45 110.915 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.99 -47.66 83.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.481 . . . . 72.01 109.882 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.73 -39.97 87.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.575 -0.284 . . . . 75.31 110.545 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.49 -35.59 78.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.337 . . . . 75.13 111.197 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -76.46 -33.52 58.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.801 0.334 . . . . 71.44 110.949 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.0 -48.42 53.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.054 0.454 . . . . 63.32 110.16 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -135.34 97.2 13.36 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.898 -0.592 . . . . 74.13 109.538 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.91 -20.42 51.42 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.642 2.228 . . . . 74.32 112.912 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.86 15.63 27.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.937 0.398 . . . . 73.54 110.759 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -95.79 129.4 43.03 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.103 -0.499 . . . . 74.4 109.998 175.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -88.86 126.67 35.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.996 -0.547 . . . . 74.04 109.718 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.17 110.97 21.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.794 -0.639 . . . . 75.31 110.39 -177.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 8.0 m -113.23 105.41 13.39 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.734 -0.386 . . . . 61.44 110.423 174.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.534 HG21 HG22 ' A' ' 7' ' ' THR . 52.3 t -98.06 106.73 19.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.04 0.448 . . . . 74.44 109.902 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -110.18 147.74 33.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.879 -0.6 . . . . 63.14 110.571 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -96.44 137.67 35.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.903 -0.59 . . . . 64.04 109.689 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.506 ' HB2' ' HB2' ' A' ' 32' ' ' ASP . 8.6 mp -68.29 138.59 55.6 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.985 -0.376 . . . . 71.35 109.985 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -63.36 91.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.593 0.711 . . . . 73.4 111.486 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.24 -11.7 10.61 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.844 -0.616 . . . . 63.24 112.103 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.506 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -121.03 103.43 9.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.721 0.296 . . . . 71.24 110.709 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -86.29 -14.17 44.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.035 0.445 . . . . 73.15 110.351 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -88.7 -45.94 9.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.897 -0.592 . . . . 61.41 110.229 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -85.05 126.26 33.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.095 -0.502 . . . . 63.31 110.566 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -118.22 152.92 34.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.825 -0.435 . . . . 71.31 109.825 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.8 m -119.98 129.42 54.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.686 -0.487 . . . . 63.0 109.686 175.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.32 102.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.6 0.714 . . . . 73.4 109.957 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.549 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 27.8 ttpp -89.43 109.89 20.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.094 -0.957 . . . . 73.43 110.083 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 ' HB2' ' A' ' 22' ' ' ALA . 97.2 t -96.92 125.43 49.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.619 -0.718 . . . . 63.22 110.639 -177.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.586 HD12 ' SG ' ' A' ' 75' ' ' CYS . 25.9 mt -111.52 131.48 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.811 0.338 . . . . 73.31 110.898 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.518 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 35.2 t -162.78 148.38 12.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.701 -0.681 . . . . 71.22 109.393 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -56.83 -32.7 66.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 73.12 111.157 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -67.91 -14.52 63.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.538 -0.301 . . . . 53.44 111.402 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.804 ' HB3' HE22 ' A' ' 53' ' ' GLN . 58.4 m-85 -96.81 -7.17 34.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 70.44 110.758 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -87.49 131.82 34.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 75.13 110.366 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.96 -22.83 38.81 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.124 -0.56 . . . . 61.23 111.928 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -79.03 148.68 32.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.616 0.246 . . . . 74.22 110.447 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.2 m -87.18 158.75 19.07 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.1 -0.704 . . . . 74.4 109.1 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -52.24 -37.74 56.12 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.38 0.511 . . . . 71.43 112.38 -176.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -49.77 76.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.857 -0.423 . . . . 63.51 109.857 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -57.12 -45.76 83.2 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.885 -0.598 . . . . 71.2 110.123 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.804 HE22 ' HB3' ' A' ' 45' ' ' PHE . 13.4 mm100 -54.75 -47.5 73.78 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.119 -0.946 . . . . 70.33 110.637 177.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -63.86 -36.89 85.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.665 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.527 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 87.2 mtt180 -62.59 -54.85 33.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.731 0.3 . . . . 74.14 111.089 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.2 ptm -68.46 -33.86 74.94 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.581 -0.448 . . . . 75.15 110.837 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.436 ' HA ' HG11 ' A' ' 60' ' ' VAL . 27.5 mm -66.87 -41.44 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.778 0.323 . . . . 62.1 110.341 175.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -66.73 -31.83 72.74 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.995 -0.282 . . . . 75.23 110.874 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' ' 55' ' ' ARG . 30.1 mmmt -80.06 -27.37 39.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.452 -0.499 . . . . 73.42 111.666 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.436 HG11 ' HA ' ' A' ' 57' ' ' ILE . 9.3 p -81.03 -23.56 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.368 0.604 . . . . 74.32 110.2 173.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.1 33.72 3.97 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.992 -0.744 . . . . 70.44 108.992 174.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -68.44 130.49 43.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.145 -0.934 . . . . 64.21 112.125 -171.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.65 -25.92 4.96 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.764 -0.653 . . . . 43.43 112.3 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.5 mt -100.94 -163.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.607 0.241 . . . . 64.45 110.708 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -70.8 155.0 41.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 65.22 110.636 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 mt -80.91 -3.98 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.047 -0.524 . . . . 65.41 111.529 -174.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -80.83 85.09 6.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.312 0.577 . . . . 73.33 110.753 -177.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.81 93.7 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.695 -0.684 . . . . 64.03 110.908 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.8 tt -121.53 -20.61 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.719 -0.673 . . . . 52.42 110.497 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.47 -23.41 61.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.878 -0.601 . . . . 62.22 110.218 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.0 tt -136.41 134.68 49.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.34 -0.845 . . . . 73.11 109.111 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.549 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -140.59 163.35 33.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.771 -0.455 . . . . 75.12 109.771 -173.497 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.5 p -135.07 149.53 50.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.857 0.361 . . . . 71.51 111.18 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.21 137.3 5.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.962 -0.637 . . . . 44.31 112.132 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . 0.586 ' SG ' HD12 ' A' ' 41' ' ' ILE . 55.8 m -109.95 141.32 42.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.065 0.46 . . . . 54.21 111.531 -177.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.49 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 17.3 ptmt . . . . . 0 C--O 1.244 0.78 0 N-CA-C 109.199 -0.667 . . . . 72.44 109.199 172.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 N--CA 1.475 0.418 0 N-CA-C 110.0 -0.808 . . . . 72.44 110.0 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.82 97.06 0.61 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.782 -0.723 . . . . 35.53 111.992 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 5' ' ' THR . 61.2 p 49.11 -90.55 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.269 1.028 . . . . 54.01 112.834 -178.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.6 mtt 70.66 -14.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.678 0.791 . . . . 73.21 111.981 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.464 ' H ' ' C ' ' A' ' 3' ' ' SER . 8.6 m -67.97 110.26 3.82 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.525 -0.546 . . . . 71.41 109.525 173.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.437 HG12 ' HB2' ' A' ' 9' ' ' SER . 11.0 p -113.95 140.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.222 0.534 . . . . 75.41 111.479 -172.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.449 ' O ' ' HB3' ' A' ' 8' ' ' GLN . 2.9 m -79.74 159.51 26.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.618 -0.719 . . . . 72.04 109.604 177.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.581 HE22 HG23 ' A' ' 26' ' ' VAL . 23.6 tt0 75.83 1.64 3.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.088 0.47 . . . . 72.35 111.234 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.437 ' HB2' HG12 ' A' ' 6' ' ' VAL . 9.6 t -64.74 -40.09 94.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.494 -0.321 . . . . 75.12 110.523 -178.315 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -66.3 -38.68 88.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.395 -0.366 . . . . 65.43 110.293 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.523 HD13 HG22 ' A' ' 38' ' ' ILE . 3.4 tm? -61.36 -49.45 76.89 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.139 -0.482 . . . . 71.13 109.784 176.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -58.88 -45.5 90.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.617 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -56.59 -47.99 78.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.02 -0.536 . . . . 73.45 110.172 176.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.17 -50.98 71.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.924 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -63.66 -43.08 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 75.31 111.097 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -29.22 63.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.823 0.344 . . . . 75.13 110.741 -177.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.413 HD21 ' N ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -78.85 -28.44 44.25 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.832 -0.347 . . . . 71.44 110.186 178.606 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.33 -46.53 22.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.303 -0.408 . . . . 63.32 110.747 175.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.55 ' HZ ' HG13 ' A' ' 60' ' ' VAL . 54.1 m-85 -114.62 98.42 49.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 74.13 110.249 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -76.23 -10.83 19.34 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 122.549 2.166 . . . . 74.32 113.41 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.65 30.56 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.105 0.478 . . . . 73.54 110.453 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -113.27 139.28 48.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.102 -0.499 . . . . 74.4 112.175 -176.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -100.66 120.01 39.43 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.389 -0.967 . . . . 74.04 108.389 167.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 mt -88.73 110.49 21.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.082 -0.508 . . . . 75.31 110.883 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.475 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 33.1 m -109.67 105.58 14.9 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.71 -0.478 . . . . 61.44 109.71 176.29 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.581 HG23 HE22 ' A' ' 8' ' ' GLN . 18.5 m -86.87 128.24 39.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.237 0.541 . . . . 74.44 110.596 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.776 HG23 ' HB2' ' A' ' 37' ' ' SER . 2.0 t -111.22 119.31 38.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.525 0.679 . . . . 63.14 110.334 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.5 m -94.27 127.29 40.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.067 -0.97 . . . . 64.04 110.411 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mp -88.31 152.65 21.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.187 -0.46 . . . . 71.35 109.964 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.75 132.98 19.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.156 0.503 . . . . 73.4 111.209 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 33' ' ' ASN . . . 120.53 -50.62 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.88 -0.676 . . . . 63.24 112.259 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 69.99 -18.31 0.23 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.344 0.657 . . . . 71.24 112.496 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 31' ' ' GLY . 26.9 t-20 -68.14 -31.03 70.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.146 0.498 . . . . 73.15 110.055 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -82.32 -177.99 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.493 -0.776 . . . . 61.41 109.844 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.713 ' HB2' HE22 ' A' ' 70' ' ' GLN . 28.7 m-70 -86.44 172.33 10.45 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 121.003 -0.279 . . . . 63.31 110.508 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -103.85 163.45 12.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.277 -0.42 . . . . 71.31 110.094 -176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.776 ' HB2' HG23 ' A' ' 27' ' ' THR . 35.8 m -108.94 145.16 35.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.882 0.372 . . . . 63.0 110.24 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.523 HG22 HD13 ' A' ' 11' ' ' LEU . 20.2 pt -107.46 114.15 45.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.344 0.592 . . . . 73.4 111.069 -177.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.522 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 54.7 tttm -97.38 108.36 21.07 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.649 -0.871 . . . . 73.43 108.649 175.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.452 ' HB ' HG23 ' A' ' 73' ' ' THR . 54.0 t -105.36 116.52 49.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.953 -0.567 . . . . 63.22 110.659 -174.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 45.3 mm -94.73 108.41 20.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.998 -0.546 . . . . 73.31 110.242 178.394 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.491 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 15.0 m -137.63 145.61 42.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.078 -0.51 . . . . 71.22 109.923 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -59.52 -25.48 64.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.334 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -76.28 -13.15 60.17 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.342 -0.39 . . . . 53.44 111.563 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 53.5 m-85 -103.84 -6.66 21.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 70.44 111.475 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -71.48 116.51 11.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.088 0.47 . . . . 75.13 111.041 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.62 18.22 66.52 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.662 -0.699 . . . . 61.23 112.793 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -95.88 139.63 31.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.04 0.447 . . . . 74.22 111.404 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.4 m -83.55 172.68 12.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.541 -0.754 . . . . 74.4 109.974 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -64.5 -31.98 73.42 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 112.146 0.425 . . . . 71.43 112.146 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.02 -47.27 85.5 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.248 -0.649 . . . . 63.51 109.248 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.43 -42.08 99.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.189 -0.914 . . . . 71.2 110.019 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' O ' HG12 ' A' ' 57' ' ' ILE . 82.3 mm-40 -58.11 -45.82 86.62 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.919 -0.582 . . . . 70.33 110.444 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -54.66 -52.33 62.68 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.423 -0.353 . . . . 75.33 110.398 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -54.67 -54.42 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 74.14 110.944 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.8 mmm -61.34 -53.55 55.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.658 -0.701 . . . . 75.15 111.38 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.45 HG12 ' O ' ' A' ' 53' ' ' GLN . 33.7 mm -61.45 -48.79 87.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.559 -0.291 . . . . 62.1 111.231 -176.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -68.29 -32.15 72.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.605 -0.438 . . . . 75.23 111.628 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 25.5 mmtm -80.73 -32.01 35.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.473 0.545 . . . . 73.42 112.473 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.55 HG13 ' HZ ' ' A' ' 19' ' ' PHE . 9.9 p -81.06 -31.07 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.646 -0.421 . . . . 74.32 110.871 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -86.33 -13.26 47.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.137 -0.32 . . . . 70.44 110.137 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 73.28 -56.32 0.66 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.163 0.915 . . . . 64.21 112.02 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -91.67 112.66 4.21 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 115.192 -0.913 . . . . 43.43 112.224 -176.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.724 ' H ' HD23 ' A' ' 64' ' ' LEU . 2.2 pt? -77.54 2.96 14.78 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.919 0.39 . . . . 64.45 110.689 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -74.59 -18.33 60.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 65.22 111.034 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 14.5 tt -62.24 146.9 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 65.41 110.991 -179.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -52.95 -36.84 60.44 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.145 -0.48 . . . . 73.33 111.651 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 71' ' ' ILE . . . 70.05 -30.48 0.2 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.563 1.32 . . . . 64.03 114.563 169.346 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 69' ' ' ILE . 11.3 tt -72.94 23.54 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.514 0.673 . . . . 52.42 112.515 -173.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.713 HE22 ' HB2' ' A' ' 35' ' ' HIS . 94.5 mt-30 -129.07 16.75 6.18 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.626 -0.671 . . . . 62.22 110.899 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 68' ' ' ALA . 3.0 tp -97.28 125.23 50.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.095 -0.502 . . . . 73.11 109.824 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.522 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 41.5 mt-30 -123.29 108.19 12.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.088 0.471 . . . . 75.12 109.733 173.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.452 HG23 ' HB ' ' A' ' 40' ' ' VAL . 1.6 p -135.47 141.07 45.3 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.85 -0.614 . . . . 71.51 110.583 -176.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.95 -134.65 6.49 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.121 -1.037 . . . . 44.31 112.961 177.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 38.9 t -102.72 148.35 25.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.941 0.401 . . . . 54.21 111.55 -172.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HB2' ' HZ2' ' A' ' 39' ' ' LYS . 55.2 tptt . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.326 -0.845 . . . . 72.44 109.556 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 N--CA 1.478 0.603 0 N-CA-C 110.536 -0.601 . . . . 72.44 110.536 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.53 89.25 0.51 Allowed Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.702 -0.761 . . . . 35.53 112.642 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 t -62.39 -57.45 11.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.193 -0.669 . . . . 54.01 109.193 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.3 mtt -89.05 120.54 30.55 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.156 -0.683 . . . . 73.21 109.156 171.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -70.29 137.59 50.85 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.427 -0.351 . . . . 71.41 110.922 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 p -86.78 142.05 13.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.955 -0.566 . . . . 75.41 109.562 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -83.94 158.71 21.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.225 -0.287 . . . . 72.04 110.225 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.33 111.4 23.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.757 -0.46 . . . . 72.35 109.757 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -52.06 -52.34 51.75 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.411 -0.813 . . . . 75.12 112.005 -173.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.03 -50.22 74.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.734 0.302 . . . . 65.43 111.732 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.75 -45.97 84.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.929 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' HG3' HG22 ' A' ' 24' ' ' ILE . 21.8 tt0 -67.0 -44.01 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.828 0.346 . . . . 75.31 110.24 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.51 -38.65 72.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.568 . . . . 73.45 110.383 177.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.25 -49.29 78.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 72.01 110.176 178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.7 mt -66.89 -38.93 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.008 -0.542 . . . . 75.31 110.745 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 16' ' ' ARG . 10.0 mmm180 -62.64 -36.6 83.35 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.883 0.373 . . . . 75.13 111.408 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -75.59 -41.26 55.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 71.44 110.953 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.89 -52.57 23.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 63.32 111.187 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -137.45 93.1 12.94 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 74.13 109.753 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.26 -26.94 71.91 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.463 2.109 . . . . 74.32 111.898 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.96 11.97 32.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.709 -0.678 . . . . 73.54 111.368 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.23 143.08 29.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.499 -0.319 . . . . 74.4 110.722 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.72 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 40.5 tt0 -81.35 110.58 16.93 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.955 -0.387 . . . . 74.04 109.955 177.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.403 HG22 ' HG3' ' A' ' 12' ' ' GLU . 53.8 mt -101.04 110.88 29.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.097 -0.502 . . . . 75.31 109.956 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.8 m -123.41 112.8 17.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.102 0.477 . . . . 61.44 110.569 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 m -83.18 114.33 23.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.204 0.526 . . . . 74.44 110.06 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.789 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 21.0 m -93.84 105.59 17.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.031 -0.531 . . . . 63.14 109.942 -177.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -91.63 101.09 13.71 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.429 -0.805 . . . . 64.04 110.402 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -137.7 142.13 41.06 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.939 -0.763 . . . . 71.35 108.939 177.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -167.73 114.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.516 0.674 . . . . 73.4 111.608 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.39 -53.24 0.46 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 109.526 -1.43 . . . . 63.24 109.526 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -95.14 149.12 21.64 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.103 -1.073 . . . . 71.24 108.103 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -64.07 101.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.111 0.482 . . . . 73.15 111.728 -174.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -145.31 -169.43 3.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.818 -0.808 . . . . 61.41 108.818 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -89.82 -176.67 5.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.274 -0.269 . . . . 63.31 110.274 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -103.52 168.17 9.33 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.135 -0.321 . . . . 71.31 110.135 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.789 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 8.2 t -101.39 130.05 47.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.022 0.439 . . . . 63.0 110.945 -173.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.1 mt -100.07 104.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.067 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.644 ' HD3' HG12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -93.7 112.89 24.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.694 -0.484 . . . . 73.43 109.694 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -118.85 113.26 41.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.065 -0.516 . . . . 63.22 110.55 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.72 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 44.3 mm -100.16 111.55 30.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.16 0.505 . . . . 73.31 110.07 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -143.29 126.55 16.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.542 -0.754 . . . . 71.22 109.55 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 m -65.28 -9.55 25.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.087 0.47 . . . . 73.12 111.55 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -88.37 -1.42 58.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.24 -0.436 . . . . 53.44 111.577 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.82 -11.28 59.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.237 0.541 . . . . 70.44 110.023 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -98.77 143.75 28.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.416 -0.811 . . . . 75.13 109.573 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.71 -6.23 60.5 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.617 -0.801 . . . . 61.23 112.169 -177.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -101.39 141.71 33.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.713 -0.477 . . . . 74.22 109.713 173.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -60.75 157.69 14.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.898 -0.592 . . . . 74.4 111.329 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 14.0 ttmm -54.39 -45.05 72.8 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.853 -0.612 . . . . 71.43 110.26 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.53 -42.72 97.08 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.723 -0.671 . . . . 63.51 111.317 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -66.15 -38.46 88.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.135 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -60.97 -47.55 85.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 70.33 109.928 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . 0.405 ' CE1' ' HG2' ' A' ' 50' ' ' LYS . 38.4 m80 -63.47 -33.81 76.39 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.282 -0.417 . . . . 75.33 110.383 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -50.25 69.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.776 -0.647 . . . . 74.14 110.716 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.8 ptm -70.23 -33.6 71.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.505 -0.316 . . . . 75.15 110.889 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.87 -43.25 98.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.203 0.525 . . . . 62.1 109.741 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.403 ' O ' ' HA ' ' A' ' 62' ' ' ASP . 31.1 t80 -61.39 -36.67 80.93 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.678 -0.692 . . . . 75.23 110.984 176.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -68.71 -46.57 68.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.348 0.499 . . . . 73.42 112.348 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.51 HG11 ' HG ' ' A' ' 61' ' ' LEU . 11.1 p -74.85 -36.3 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 112.179 0.437 . . . . 74.32 112.179 -173.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.631 HD12 ' HB ' ' A' ' 71' ' ' ILE . 70.1 mt -106.19 -19.53 13.68 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.324 0.49 . . . . 70.44 112.324 -176.241 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.403 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 30.7 t70 55.45 74.64 0.36 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.569 0.699 . . . . 64.21 109.511 -170.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.03 92.49 0.31 Allowed Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.378 -0.915 . . . . 43.43 113.228 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.7 mt -82.64 -2.79 54.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.671 0.748 . . . . 64.45 109.222 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.53 106.61 18.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.776 -1.102 . . . . 65.22 108.783 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 pt -72.72 86.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.497 0.665 . . . . 65.41 112.252 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -147.57 97.42 2.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.463 -0.789 . . . . 73.33 110.301 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.06 72.83 5.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.294 0.569 . . . . 64.03 111.029 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.0 tp -127.08 -33.19 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.657 -0.701 . . . . 52.42 110.337 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -79.29 -14.47 59.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.381 0.61 . . . . 62.22 110.254 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.631 ' HB ' HD12 ' A' ' 61' ' ' LEU . 8.0 tp -127.69 134.1 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.792 -0.64 . . . . 73.11 109.922 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . 6.2 tp-100 -127.86 108.56 10.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.215 0.531 . . . . 75.12 110.299 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 p -141.9 119.93 12.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.495 -0.775 . . . . 71.51 109.979 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.66 -176.93 47.53 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.746 -0.74 . . . . 44.31 111.85 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 51.4 t -127.15 122.49 34.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.845 0.355 . . . . 54.21 110.477 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.3 tptt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.348 -0.834 . . . . 72.44 109.834 -179.446 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 108.88 -0.785 . . . . 72.04 108.88 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 59.07 28.18 17.37 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.416 0.627 . . . . 72.35 109.749 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -38.99 83.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.027 -0.988 . . . . 75.12 111.648 -176.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -65.48 -35.21 80.2 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.126 -0.23 . . . . 65.43 110.57 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 38' ' ' ILE . 3.4 mm? -67.41 -48.81 66.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.367 . . . . 71.13 110.227 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.522 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -59.06 -54.35 48.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.607 -0.724 . . . . 74.31 109.627 178.037 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.08 -43.2 99.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.331 -0.849 . . . . 73.45 111.979 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.83 -50.83 71.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.625 0.25 . . . . 72.01 111.173 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.405 HD12 HD11 ' A' ' 38' ' ' ILE . 56.5 mt -72.29 -35.5 52.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.427 -0.351 . . . . 75.31 110.711 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -63.86 -38.15 90.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.021 0.438 . . . . 75.13 110.812 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -83.6 -32.65 25.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.435 . . . . 71.44 111.329 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.91 -47.18 66.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 63.32 110.316 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -124.9 101.88 32.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.546 -0.538 . . . . 74.13 109.546 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -62.09 -26.27 78.04 Favored 'Trans proline' 0 CA--C 1.526 0.08 0 C-N-CA 122.791 2.327 . . . . 74.32 112.321 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -96.57 15.98 20.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 73.54 110.951 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.63 131.81 46.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.379 . . . . 74.4 111.09 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.597 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 10.1 tp10 -97.96 114.87 27.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.762 -0.653 . . . . 74.04 109.491 175.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' A' ' 12' ' ' GLU . 3.4 mp -88.29 111.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.058 0.456 . . . . 75.31 109.889 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.494 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 32.1 m -110.34 124.18 51.21 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.748 -0.464 . . . . 60.33 109.748 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 m -83.12 120.74 34.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.162 0.505 . . . . 74.44 110.268 177.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 19.2 m -93.46 105.18 17.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.252 0.548 . . . . 63.14 109.733 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.9 p -108.57 117.9 35.39 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.596 -0.729 . . . . 51.11 110.976 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.15 135.94 44.74 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.435 -0.95 . . . . 71.35 108.435 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.28 87.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.219 0.533 . . . . 71.32 110.688 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.68 118.25 0.9 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.19 -0.914 . . . . 63.24 111.262 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.9 76.21 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.265 0.555 . . . . 71.24 111.441 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.55 -43.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.296 -0.865 . . . . 73.15 109.412 175.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -89.6 157.51 18.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.371 -0.832 . . . . 61.41 110.757 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -75.31 154.86 37.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 54.44 109.967 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -103.76 134.95 46.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.272 -0.422 . . . . 71.31 110.237 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.568 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 12.7 m -91.66 165.5 13.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.84 -0.618 . . . . 63.0 110.714 -172.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.405 HD11 HD12 ' A' ' 15' ' ' ILE . 17.5 tt -118.23 126.73 75.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.623 -0.51 . . . . 73.4 109.623 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 76.5 tttt -108.45 116.99 33.01 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.957 -0.565 . . . . 73.43 110.149 -175.084 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.08 104.98 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.092 -0.503 . . . . 63.22 110.737 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.597 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 45.0 mm -98.25 96.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.487 -0.56 . . . . 73.31 109.487 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.4 t -140.08 134.74 31.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.114 0.483 . . . . 71.22 111.06 -176.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 p -63.07 -18.71 63.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.546 -0.752 . . . . 73.12 111.408 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.38 -23.08 67.16 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.849 0.357 . . . . 53.44 110.727 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -101.35 -4.14 27.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 62.12 111.099 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -84.81 136.57 33.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.07 0.462 . . . . 75.13 110.521 -174.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.09 -28.18 15.81 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.8 -0.92 . . . . 61.23 110.8 -174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.778 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.2 mmpt? -72.55 139.35 47.46 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.466 -0.367 . . . . 74.22 110.507 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.9 m -74.9 166.7 23.21 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.442 -0.577 . . . . 74.4 109.442 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HG3' HD22 ' A' ' 51' ' ' LEU . 17.9 ptpt -56.59 -35.37 68.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.944 -0.302 . . . . 71.43 111.379 -177.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.581 ' H ' HD22 ' A' ' 51' ' ' LEU . 2.3 mm? -64.25 -45.17 89.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 63.51 109.989 -178.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 46.3 mt-10 -61.67 -45.61 93.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.61 -0.723 . . . . 71.2 110.098 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 57' ' ' ILE . 89.0 mt-30 -61.69 -43.5 98.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 70.33 110.849 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -58.8 -46.43 87.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.666 0.27 . . . . 75.33 110.385 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -60.34 -41.53 93.8 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.341 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 93.3 mmm -66.61 -34.49 78.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 120.709 -0.397 . . . . 75.15 110.359 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 53' ' ' GLN . 73.7 mt -62.42 -42.62 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.594 -0.521 . . . . 62.1 109.594 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -61.68 -31.79 71.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.064 -0.517 . . . . 75.23 111.062 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HB3' ' NZ ' ' A' ' 59' ' ' LYS . 3.6 mmmp? -65.47 -57.16 8.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.76 0.314 . . . . 73.42 110.871 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.443 HG13 ' CD2' ' A' ' 61' ' ' LEU . 6.6 p -69.9 -38.68 76.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 116.412 -0.358 . . . . 74.32 111.649 -175.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' CD2' HG13 ' A' ' 60' ' ' VAL . 3.8 mm? -101.65 37.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.593 0.235 . . . . 70.44 110.97 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.46 -14.17 38.18 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.306 0.484 . . . . 64.21 112.306 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.92 -16.29 76.45 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.942 -0.647 . . . . 43.43 112.792 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -137.19 147.45 45.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 63.23 110.509 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.142 0.496 . . . . 65.22 110.029 175.387 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 C--O 1.234 0.274 0 CA-C-O 121.167 0.508 . . . . 52.42 110.71 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -129.67 -41.53 1.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.675 -0.693 . . . . 62.22 109.792 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 tt -113.44 121.51 65.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.511 -0.768 . . . . 61.5 110.274 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 68.8 mt-30 -111.55 125.73 54.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 75.12 110.295 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 m -100.06 162.58 12.89 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.837 -0.62 . . . . 71.51 110.204 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 121.055 -0.593 . . . . 44.31 112.436 177.453 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.504 0.192 . . . . 72.04 111.446 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.465 ' HA ' HE22 ' A' ' 10' ' ' GLN . 95.0 mt-30 67.3 23.17 9.38 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.764 -0.653 . . . . 72.35 111.932 174.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -66.1 -32.2 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.99 0.424 . . . . 75.12 110.281 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.465 HE22 ' HA ' ' A' ' 8' ' ' GLN . 5.4 pm0 -72.5 -27.22 62.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.129 -0.487 . . . . 65.43 110.007 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -71.67 -46.19 59.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.967 -0.753 . . . . 71.13 108.967 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' OE2' ' HD3' ' A' ' 16' ' ' ARG . 3.1 tm-20 -57.9 -53.77 54.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.448 -0.796 . . . . 74.31 109.356 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.85 -40.86 76.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.509 -0.769 . . . . 73.45 111.221 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.1 tp -56.86 -50.9 71.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.612 -0.267 . . . . 72.01 110.823 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.726 HG22 HG12 ' A' ' 24' ' ' ILE . 42.6 mm -70.95 -37.88 69.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.871 0.367 . . . . 75.31 110.336 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HD2' HD13 ' A' ' 24' ' ' ILE . 1.2 tpt180 -64.53 -35.55 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 75.13 111.057 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -83.79 -33.62 24.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.01 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -43.02 71.94 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.374 -0.376 . . . . 63.32 110.548 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -127.81 80.45 72.01 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 74.13 110.339 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.41 -10.86 19.03 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.359 2.039 . . . . 74.32 111.86 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -99.63 30.49 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.603 -0.726 . . . . 73.54 109.508 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 42' ' ' SER . . . -137.61 155.96 48.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.757 -0.656 . . . . 74.4 111.145 -177.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 1.1 mm-40 -94.5 99.01 11.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.885 -0.598 . . . . 74.04 109.741 172.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.726 HG12 HG22 ' A' ' 15' ' ' ILE . 3.5 mp -88.15 117.45 31.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.752 -0.658 . . . . 75.31 110.424 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 24.9 m -117.73 121.54 41.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 60.33 109.956 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.9 107.6 21.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.392 . . . . 74.44 110.419 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 17.0 m -101.83 138.36 38.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.053 -0.522 . . . . 63.14 110.652 -178.011 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -93.83 123.47 37.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.284 -0.265 . . . . 51.11 110.284 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 8.7 mp -113.18 116.38 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.955 0.407 . . . . 71.35 111.051 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -101.13 97.4 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.351 0.596 . . . . 71.32 110.409 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.44 -148.04 4.99 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.736 -0.745 . . . . 63.24 111.794 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.18 -51.92 67.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.963 0.411 . . . . 71.24 110.767 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -117.35 131.1 56.85 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.967 -0.753 . . . . 73.15 108.967 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -83.22 97.83 9.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.603 0.716 . . . . 61.41 111.123 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 4.1 m-70 -127.58 155.45 43.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.261 -0.881 . . . . 54.44 109.564 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -103.87 140.63 37.4 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.534 -0.543 . . . . 71.31 109.534 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.731 ' HA ' ' HG3' ' A' ' 70' ' ' GLN . 16.8 t -89.26 124.01 34.0 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.937 -0.394 . . . . 63.0 109.937 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.71 99.58 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.109 -0.7 . . . . 73.4 109.109 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 51.9 mtpt -95.46 111.83 23.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.052 -0.522 . . . . 73.43 109.642 -178.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.1 t -113.56 104.31 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.99 -0.55 . . . . 63.22 110.176 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.456 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 40.4 mm -95.84 111.55 26.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.02 -0.536 . . . . 73.31 110.304 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.475 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . 32.5 t -158.56 142.57 15.52 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.383 -0.371 . . . . 71.22 110.757 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.506 ' HA ' ' HB3' ' A' ' 46' ' ' GLN . 49.6 m -68.81 -5.84 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 73.12 111.37 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -75.79 -18.16 59.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 53.44 110.296 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -104.9 -10.63 17.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.616 0.722 . . . . 62.12 109.579 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 62.6 tt0 -83.62 124.36 30.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.087 -0.96 . . . . 75.13 109.785 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.98 -23.49 35.81 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.653 -0.784 . . . . 61.23 111.439 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -76.4 144.79 39.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.093 -0.336 . . . . 74.22 110.093 175.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 t -70.12 155.92 39.93 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.872 -0.418 . . . . 74.4 109.872 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -52.56 -47.09 67.01 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.45 -0.341 . . . . 71.43 111.176 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.58 -43.27 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.184 -0.462 . . . . 63.51 110.537 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.09 -50.21 73.48 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.97 0.414 . . . . 71.2 110.479 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 57' ' ' ILE . 73.3 mt-30 -57.61 -47.65 81.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.389 -0.823 . . . . 70.33 110.705 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.412 ' HA ' HD12 ' A' ' 57' ' ' ILE . 29.7 m170 -65.8 -37.73 87.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 75.33 110.791 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 55' ' ' ARG . 47.1 mtp180 -58.58 -49.39 77.64 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.332 -0.395 . . . . 74.14 110.567 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 75.2 mtm -61.49 -42.27 98.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 75.15 111.018 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.688 HD13 HG21 ' A' ' 71' ' ' ILE . 37.4 mt -62.52 -46.38 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.198 0.523 . . . . 62.1 110.216 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -63.19 -31.88 73.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 75.23 111.099 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -81.04 -43.27 19.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.533 -0.303 . . . . 73.42 111.711 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 57' ' ' ILE . 9.8 p -70.43 -32.97 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.973 0.416 . . . . 74.32 110.909 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -86.83 -16.68 35.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.369 . . . . 70.44 110.511 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.97 22.9 13.07 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.724 -0.671 . . . . 64.21 111.751 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.59 -128.31 3.45 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.958 -0.639 . . . . 43.43 111.724 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp 66.94 11.07 8.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.988 0.515 . . . . 63.23 111.238 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.5 t30 . . . . . 0 C--N 1.322 -0.618 0 CA-C-O 120.965 0.412 . . . . 65.22 110.387 179.247 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' A' ' 71' ' ' ILE . 31.7 mt . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.764 0.316 . . . . 52.42 110.199 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.731 ' HG3' ' HA ' ' A' ' 37' ' ' SER . 5.8 tp-100 70.18 27.6 4.16 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.939 0.876 . . . . 62.22 109.987 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.688 HG21 HD13 ' A' ' 57' ' ' ILE . 17.1 tt -98.64 132.27 44.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.123 -0.944 . . . . 61.5 110.328 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -110.86 108.54 18.38 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.11 -0.7 . . . . 75.12 109.11 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 71' ' ' ILE . 3.3 p -106.67 120.13 41.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.189 0.519 . . . . 71.51 111.935 -176.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 C-N-CA 120.841 -0.695 . . . . 44.31 112.906 176.088 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.472 ' HB ' HG13 ' A' ' 26' ' ' VAL . 10.4 t . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.405 -0.591 . . . . 72.04 109.405 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -61.57 124.73 21.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.056 0.455 . . . . 72.35 110.095 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 p -52.01 -43.22 63.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.062 -0.972 . . . . 75.12 111.886 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.47 -46.69 81.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 65.43 111.5 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 38' ' ' ILE . 88.5 mt -62.33 -46.35 89.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 71.13 110.824 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.01 -54.05 46.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.817 -0.629 . . . . 74.31 110.156 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -42.91 82.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.592 -0.731 . . . . 73.45 111.135 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.72 -50.81 69.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.092 -0.504 . . . . 72.01 110.726 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.1 mm -66.84 -39.05 82.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.138 -0.483 . . . . 75.31 111.0 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -67.39 -39.27 85.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.642 -0.254 . . . . 75.13 111.481 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -78.85 -39.19 36.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.676 -0.238 . . . . 71.44 111.47 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.04 -37.69 69.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 63.32 110.779 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.4 84.31 63.59 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 74.13 110.823 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.09 -19.79 44.81 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.393 2.062 . . . . 74.32 111.176 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -93.38 12.19 25.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.197 -0.91 . . . . 73.54 110.678 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.85 148.38 32.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 74.4 111.24 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 8.7 tp10 -97.03 114.82 26.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.654 -0.703 . . . . 74.04 109.748 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.7 mt -93.48 110.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.801 0.334 . . . . 75.31 110.119 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 8.7 m -104.0 120.72 41.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.288 -0.414 . . . . 60.33 109.948 176.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.472 HG13 ' HB ' ' A' ' 7' ' ' THR . 59.7 t -82.98 115.67 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.047 0.451 . . . . 74.44 110.223 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.675 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 21.5 m -107.9 120.02 41.1 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.859 -0.61 . . . . 63.14 110.223 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -78.24 103.76 8.39 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.427 -0.806 . . . . 51.11 109.863 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.0 tp -66.27 111.43 3.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.32 -0.854 . . . . 71.35 110.231 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.92 129.33 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.856 -0.611 . . . . 71.32 110.483 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.64 -11.66 4.29 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.865 -0.894 . . . . 63.24 110.865 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 61.57 90.15 0.07 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.289 0.636 . . . . 71.24 111.163 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -159.62 150.68 19.59 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.826 -0.805 . . . . 73.15 108.826 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -64.3 -16.76 62.77 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.352 0.596 . . . . 61.41 110.538 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -85.1 103.18 13.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.493 -0.558 . . . . 54.44 109.493 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -109.78 174.33 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.578 -0.283 . . . . 71.31 110.429 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.675 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 19.9 m -103.33 120.97 41.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.966 0.412 . . . . 63.0 110.959 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 70' ' ' GLN . 26.7 pt -101.18 117.59 46.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.254 0.549 . . . . 73.4 110.289 173.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 53.4 mtmt -89.37 108.73 19.8 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.713 -0.477 . . . . 73.43 109.713 176.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -95.24 104.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.216 -0.902 . . . . 63.22 109.96 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.603 HG12 ' HA3' ' A' ' 74' ' ' GLY . 42.4 mt -102.8 136.0 37.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.949 -0.569 . . . . 73.31 110.185 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.5 t -162.29 147.67 12.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.827 -0.624 . . . . 71.22 110.301 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 p -63.14 -19.03 64.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.852 -0.613 . . . . 73.12 110.992 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.79 -16.77 62.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.334 -0.394 . . . . 53.44 110.968 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -96.79 7.0 47.59 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.095 0.474 . . . . 62.12 110.423 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -85.26 131.94 34.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.999 -0.546 . . . . 75.13 109.837 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.54 -2.77 76.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.976 -0.63 . . . . 61.23 112.793 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -90.79 152.83 20.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.866 0.365 . . . . 74.22 110.547 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 p -82.58 144.49 30.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.852 -0.613 . . . . 74.4 110.567 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -58.09 -34.49 70.21 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.265 -0.425 . . . . 71.43 111.632 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.3 mt -55.36 -53.84 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.51 110.792 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.06 -44.08 78.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.664 -0.698 . . . . 71.2 111.396 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.48 ' O ' HG13 ' A' ' 57' ' ' ILE . 70.4 mt-30 -61.54 -47.25 86.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 70.33 111.069 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -64.17 -40.19 95.6 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.992 -0.373 . . . . 75.33 109.992 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -56.83 -48.33 78.29 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.978 -0.555 . . . . 74.14 110.941 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 90.5 mtp -62.13 -38.52 89.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.679 -0.691 . . . . 75.15 110.249 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 53' ' ' GLN . 67.6 mt -58.96 -52.3 62.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 62.1 110.912 176.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -58.8 -38.39 78.48 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.081 0.467 . . . . 75.23 110.622 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 59' ' ' LYS . 36.6 ttpt -64.21 -49.26 72.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.706 -0.679 . . . . 73.42 111.487 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.4 t -81.97 -43.19 19.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.449 -0.341 . . . . 74.32 111.875 -174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 4.2 mm? -79.9 -23.8 41.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.73 0.271 . . . . 70.44 111.73 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' A' ' 61' ' ' LEU . 6.8 t70 75.38 -47.56 0.6 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.371 0.668 . . . . 64.21 112.053 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.98 95.88 0.5 Allowed Glycine 0 C--N 1.311 -0.828 0 CA-C-N 115.356 -0.838 . . . . 43.43 112.403 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.436 ' HG ' ' H ' ' A' ' 64' ' ' LEU . 2.0 pp -86.47 12.99 9.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.201 0.524 . . . . 63.23 111.03 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 65.22 109.456 176.897 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.2 mm . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.872 0.367 . . . . 52.42 110.061 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' HG12 ' A' ' 38' ' ' ILE . 27.3 mt-30 -82.24 -30.63 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.075 -0.511 . . . . 62.22 111.332 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.8 tt -137.13 132.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.116 0.484 . . . . 61.5 111.17 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 51.1 tt0 -126.11 125.05 41.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.575 -0.739 . . . . 75.12 109.435 176.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -88.44 134.92 33.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.825 0.345 . . . . 71.51 111.585 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.603 ' HA3' HG12 ' A' ' 41' ' ' ILE . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.765 -0.731 . . . . 44.31 111.618 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 110.299 -0.26 . . . . 72.04 110.299 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 63.84 24.58 13.79 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.312 0.383 . . . . 72.35 111.762 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 m -60.74 -32.3 71.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.408 -0.36 . . . . 75.12 111.079 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -66.7 -32.98 74.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 65.43 110.363 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.33 -44.22 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.103 -0.703 . . . . 71.13 109.103 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -54.38 -51.66 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.588 -0.733 . . . . 74.31 110.275 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.5 -40.12 90.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 73.45 111.331 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.99 -46.4 89.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 72.01 110.852 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.457 ' HB ' HD13 ' A' ' 24' ' ' ILE . 61.3 mt -66.15 -35.75 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.549 -0.296 . . . . 75.31 110.626 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 24' ' ' ILE . 12.0 mmm180 -68.17 -29.27 68.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.607 0.241 . . . . 75.13 111.558 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -74.73 -41.82 59.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.737 0.304 . . . . 71.44 110.569 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.29 -53.28 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.466 . . . . 63.32 110.986 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -118.86 90.62 41.09 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.029 -0.532 . . . . 74.13 109.716 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.31 -1.03 11.01 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.937 2.425 . . . . 74.32 113.087 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -117.73 13.3 14.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.104 0.478 . . . . 73.54 110.412 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 42' ' ' SER . . . -97.24 133.43 41.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.904 -0.589 . . . . 74.4 111.575 -176.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 42.4 mt-10 -85.53 111.9 20.44 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.084 -0.71 . . . . 74.04 109.084 172.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.457 HD13 ' HB ' ' A' ' 15' ' ' ILE . 22.6 mt -91.55 129.87 41.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.946 -0.57 . . . . 75.31 110.254 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 33.9 m -135.37 105.32 6.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.0 0.429 . . . . 60.33 110.132 172.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.81 119.47 36.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.565 0.697 . . . . 74.44 110.018 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.903 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 21.0 m -95.87 105.47 17.49 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.501 -0.772 . . . . 63.14 110.319 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -83.46 106.03 14.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.892 -0.595 . . . . 51.11 110.556 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.39 107.89 3.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.484 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -67.06 140.42 19.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 71.32 110.216 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.62 -58.25 0.41 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.395 -0.682 . . . . 63.24 111.395 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -148.03 117.39 6.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.958 0.408 . . . . 71.24 109.936 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.0 36.01 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.919 -0.582 . . . . 73.15 111.672 -172.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -68.01 -16.61 64.12 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.026 0.441 . . . . 61.41 110.577 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -149.57 142.81 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 54.44 110.679 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -120.61 127.18 51.87 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.69 -0.856 . . . . 71.31 108.69 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.903 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 20.7 m -76.48 118.44 19.15 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.224 -0.59 . . . . 63.0 109.681 -178.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -99.95 100.03 9.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.943 0.401 . . . . 73.4 110.064 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 87.9 tttt -92.62 110.86 22.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.673 . . . . 73.43 110.099 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -111.18 105.87 19.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.004 -0.544 . . . . 63.22 110.448 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.468 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 50.3 mm -101.71 105.31 17.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.165 -0.471 . . . . 73.31 109.888 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.422 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . 45.5 t -144.02 147.63 34.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.412 -0.358 . . . . 71.22 110.804 -177.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 m -65.23 -15.86 62.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.324 0.583 . . . . 73.12 110.19 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.84 -4.84 37.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.733 . . . . 53.44 110.774 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -116.53 9.28 14.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 62.12 110.335 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -117.15 136.67 52.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.535 . . . . 75.13 110.172 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.21 -2.29 37.03 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.023 -0.608 . . . . 61.23 112.504 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.6 mmpt? -78.34 -178.87 5.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.129 0.49 . . . . 74.22 111.143 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 m -104.49 144.33 31.81 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.509 -0.552 . . . . 74.4 109.509 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -52.32 -38.61 58.99 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.354 0.409 . . . . 71.43 111.821 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.14 -49.37 71.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.406 -0.361 . . . . 63.51 110.742 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -57.78 -45.53 85.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.59 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -61.56 -47.39 85.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.742 -0.663 . . . . 70.33 111.148 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -59.56 -46.41 88.99 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.879 -0.415 . . . . 75.33 109.879 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -57.19 -50.03 74.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.779 -0.646 . . . . 74.14 111.49 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 73.1 mtm -62.81 -49.49 74.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 75.15 111.321 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.511 HG23 HD13 ' A' ' 71' ' ' ILE . 60.2 mt -64.46 -39.09 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.065 0.459 . . . . 62.1 110.355 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -65.29 -31.91 73.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 75.23 110.517 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 46.6 tptt -78.67 -39.54 36.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.31 -0.405 . . . . 73.42 111.266 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 57' ' ' ILE . 32.3 m -73.92 -27.75 22.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.429 -0.508 . . . . 74.32 110.644 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 61' ' ' LEU . 3.8 mm? -90.74 27.32 1.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 70.44 110.546 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.84 -34.57 76.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 64.21 110.983 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.33 50.74 1.43 Allowed Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.423 -0.808 . . . . 43.43 111.672 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.2 152.36 41.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.05 0.452 . . . . 63.23 110.979 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.875 -0.602 . . . . 65.22 109.57 179.787 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.1 pt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.887 0.375 . . . . 52.42 110.281 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -145.78 28.69 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 62.22 111.791 -172.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.511 HD13 HG23 ' A' ' 57' ' ' ILE . 17.5 tt -101.56 127.21 55.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.182 0.515 . . . . 61.5 111.153 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 39' ' ' LYS . 93.3 mt-30 -120.11 117.5 28.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.944 -0.571 . . . . 75.12 109.875 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.0 p -119.48 148.2 43.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.822 0.344 . . . . 71.51 111.299 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.828 -0.701 . . . . 44.31 111.498 176.491 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.916 -0.402 . . . . 72.04 109.916 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -80.09 66.16 5.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.762 -0.458 . . . . 72.35 109.762 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 m -52.52 -39.27 61.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.301 -0.409 . . . . 75.12 111.834 -173.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.88 -34.13 71.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 65.43 111.074 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -72.09 -48.45 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.605 -0.27 . . . . 71.13 110.386 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.54 -37.56 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 74.31 110.438 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.18 -45.78 93.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.419 -0.355 . . . . 73.45 110.058 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.92 -48.62 75.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 72.01 110.051 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.563 HD11 HD12 ' A' ' 38' ' ' ILE . 64.2 mt -61.64 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.036 -0.529 . . . . 75.31 110.713 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -64.61 -39.63 94.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 75.13 111.106 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -71.57 -29.92 65.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 71.44 110.347 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.33 -48.6 15.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 63.32 111.041 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -129.19 92.59 38.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.447 -0.342 . . . . 74.13 110.618 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.48 -13.82 30.46 Favored 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.464 2.109 . . . . 74.32 111.972 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -98.3 6.94 46.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.625 -0.716 . . . . 73.54 110.936 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.96 134.5 41.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.223 -0.444 . . . . 74.4 111.546 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.06 105.95 13.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.841 -0.618 . . . . 74.04 109.807 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.0 mt -88.61 115.56 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.712 -0.676 . . . . 75.31 110.184 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.543 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 16.0 m -120.35 105.31 10.78 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.056 0.455 . . . . 60.33 110.405 176.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.52 126.32 40.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.155 0.502 . . . . 74.44 110.19 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 m -120.34 118.09 29.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.05 -0.523 . . . . 63.14 110.264 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 p -94.46 100.8 12.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.044 -0.525 . . . . 51.11 110.372 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 3.2 mm? -78.51 86.45 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.112 0.482 . . . . 71.35 110.401 -178.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.37 124.74 40.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.547 -0.752 . . . . 71.32 110.26 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.78 -99.53 0.17 Allowed Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.914 -0.875 . . . . 63.24 110.914 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.73 -67.15 0.87 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.121 -0.696 . . . . 71.24 109.121 173.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -100.13 115.44 29.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.784 -0.821 . . . . 73.15 108.784 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.82 109.88 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.19 0.519 . . . . 61.41 111.652 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 39.6 p-80 -122.48 140.63 52.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.035 -0.728 . . . . 54.44 109.035 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -112.24 149.69 31.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.971 0.415 . . . . 71.31 110.867 -172.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -134.48 119.24 18.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.921 -0.581 . . . . 63.0 110.433 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.563 HD12 HD11 ' A' ' 15' ' ' ILE . 14.0 pt -99.55 109.74 25.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.288 0.566 . . . . 73.4 110.236 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 83.0 tttt -86.27 117.88 25.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.563 -0.744 . . . . 73.43 109.977 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.91 109.14 27.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.369 -0.378 . . . . 63.22 110.244 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.3 mt -102.42 129.2 54.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.792 -0.363 . . . . 73.31 110.286 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 t -158.22 146.47 18.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.013 -0.54 . . . . 71.22 110.24 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.602 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 17.8 m -64.12 -11.07 26.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 73.12 111.317 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -69.31 -27.29 65.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 53.44 110.54 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -88.72 -10.56 47.94 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.164 0.431 . . . . 62.12 112.164 -174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 43' ' ' SER . 27.0 pt20 -64.29 143.79 57.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.643 0.259 . . . . 75.13 110.311 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.41 -24.44 25.45 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.739 -0.743 . . . . 61.23 112.326 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -93.05 133.47 36.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.998 0.428 . . . . 74.22 110.239 -179.297 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.6 m -71.51 165.12 24.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.333 -0.849 . . . . 74.4 111.333 -174.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 50' ' ' LYS . 55.6 mtpt -55.33 -40.62 71.42 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.134 -0.484 . . . . 71.43 110.873 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.477 ' H ' HD22 ' A' ' 51' ' ' LEU . 3.3 mm? -55.14 -49.8 70.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.594 . . . . 63.51 110.174 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -63.73 -41.42 98.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.741 -0.663 . . . . 71.2 110.785 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.577 ' O ' HG13 ' A' ' 57' ' ' ILE . 67.2 mt-30 -56.69 -47.72 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 70.33 111.134 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.452 ' HA ' HD12 ' A' ' 57' ' ' ILE . 30.1 m80 -72.5 -36.44 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 75.33 110.096 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -60.55 -44.68 95.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 74.14 110.527 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.487 ' CE ' ' HA ' ' A' ' 53' ' ' GLN . 73.0 mtm -61.82 -42.7 99.35 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.095 -0.502 . . . . 75.15 110.339 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.699 HG23 HG12 ' A' ' 71' ' ' ILE . 93.9 mt -55.0 -53.19 36.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.625 0.25 . . . . 62.1 110.752 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -62.15 -36.58 82.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 75.23 111.283 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -77.55 -36.47 52.2 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.092 0.405 . . . . 73.42 112.092 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.3 t -73.32 -41.6 57.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.688 0.28 . . . . 74.32 110.745 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 70' ' ' GLN . 56.7 mt -69.03 -29.75 67.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.535 -0.302 . . . . 70.44 110.369 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 t70 58.5 76.65 0.33 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.403 -0.817 . . . . 64.21 110.681 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.15 -154.78 25.85 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 110.509 -1.036 . . . . 43.43 110.509 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -110.5 -80.41 0.58 Allowed 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 110.276 -0.268 . . . . 63.23 110.276 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.467 0.379 0 CA-C-N 115.94 -0.573 . . . . 65.22 110.896 -177.387 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.3 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.427 -0.583 . . . . 52.42 109.427 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.44 ' HB3' HD11 ' A' ' 61' ' ' LEU . 24.1 tp60 -65.9 -47.55 74.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.329 -0.396 . . . . 62.22 111.102 -175.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.699 HG12 HG23 ' A' ' 57' ' ' ILE . 9.5 pt -123.32 139.58 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.699 -0.482 . . . . 61.5 109.699 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 40.2 mt-30 -114.01 108.41 16.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.421 -0.585 . . . . 75.12 109.421 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -119.7 119.99 35.29 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.513 -0.312 . . . . 71.51 110.694 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 C-N-CA 120.87 -0.681 . . . . 44.31 112.709 177.824 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.777 -0.453 . . . . 72.04 109.777 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -95.22 128.33 41.97 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.127 -0.694 . . . . 72.35 109.127 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m -59.2 -48.59 81.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.395 -0.366 . . . . 75.12 111.281 -174.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.54 -44.84 89.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.58 0.229 . . . . 65.43 111.216 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.67 -48.08 80.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 71.13 110.708 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.11 -54.01 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 74.31 110.435 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.81 -39.18 73.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.013 -0.994 . . . . 73.45 111.066 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.93 -50.73 69.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.5 . . . . 72.01 110.766 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mt -71.99 -34.75 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.982 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -68.3 -35.7 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 75.13 110.811 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -78.19 -31.4 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 71.44 110.571 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.17 -45.99 68.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 63.32 110.706 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -126.96 89.05 53.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.064 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -63.5 -45.02 12.44 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.17 2.58 . . . . 74.32 113.401 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.76 27.35 2.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.222 0.534 . . . . 73.54 111.026 -178.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.42 146.71 46.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.791 -0.64 . . . . 74.4 110.011 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -100.19 120.08 39.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.356 0.598 . . . . 74.04 111.688 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 24' ' ' ILE . 4.1 mp -88.38 110.89 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.402 -0.817 . . . . 75.31 109.098 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 12.8 m -109.57 114.5 28.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.441 -0.345 . . . . 60.33 110.857 -177.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.7 t -82.56 112.07 19.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.516 -0.92 . . . . 74.44 108.516 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.826 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 29.5 m -93.43 106.35 18.33 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.555 -0.748 . . . . 63.14 111.018 -171.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.492 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 17.9 t -86.23 111.0 20.0 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.186 -0.915 . . . . 51.11 109.611 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 mt -87.48 -172.93 4.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.091 -0.707 . . . . 71.35 109.091 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.64 135.44 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.592 -0.892 . . . . 71.32 108.592 171.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.62 55.72 2.08 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.353 -0.451 . . . . 63.24 113.957 -172.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -114.21 -9.67 12.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.477 -0.564 . . . . 71.24 109.477 172.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -105.1 134.75 47.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.447 -0.797 . . . . 73.15 109.258 174.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -67.33 -39.41 85.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.283 0.563 . . . . 61.41 110.635 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -101.07 143.71 30.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.724 -0.671 . . . . 54.44 109.52 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 92.9 m-85 -103.33 172.42 6.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.095 -0.335 . . . . 71.31 110.095 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.826 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 53.4 m -89.61 149.91 22.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.15 0.5 . . . . 63.0 111.259 -173.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.3 pt -115.23 111.86 37.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.864 -0.607 . . . . 73.4 110.1 176.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 3.4 ttmp? -103.7 110.26 22.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.639 -0.504 . . . . 73.43 109.639 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 t -99.15 104.35 15.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.811 -0.631 . . . . 63.22 109.888 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.9 mm -86.81 99.1 7.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.273 0.559 . . . . 73.31 109.538 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 m -142.31 138.83 31.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.387 -0.824 . . . . 71.22 110.354 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.6 m -66.73 -13.01 60.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.253 0.549 . . . . 73.12 110.401 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -72.67 -10.51 59.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.853 -0.612 . . . . 53.44 110.621 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 67.0 m-85 -113.59 13.63 18.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 62.12 111.045 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -121.73 116.44 24.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.813 0.339 . . . . 75.13 111.081 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.06 21.88 50.88 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.927 -0.654 . . . . 61.23 112.711 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -104.48 -171.26 1.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.021 -0.363 . . . . 74.22 110.021 -178.163 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.624 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 44.9 m -85.47 137.17 33.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.728 -0.215 . . . . 74.4 110.912 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 50' ' ' LYS . 45.8 mtmt -56.83 -48.81 77.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.494 -0.321 . . . . 71.43 111.504 -178.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.09 -42.31 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.49 -0.323 . . . . 63.51 110.456 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 56' ' ' MET . 41.6 tt0 -58.12 -49.95 75.18 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.945 -0.57 . . . . 71.2 110.78 177.421 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 49' ' ' SER . 23.7 mm-40 -59.57 -47.34 85.92 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.982 -0.554 . . . . 70.33 110.904 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -65.55 -40.45 92.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.819 -0.628 . . . . 75.33 110.041 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -59.65 -45.21 92.7 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.335 -0.393 . . . . 74.14 110.779 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.524 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 97.0 mmm -57.75 -45.24 86.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.526 . . . . 75.15 110.374 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.559 HG23 HG21 ' A' ' 71' ' ' ILE . 72.1 mt -59.08 -49.96 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.845 -0.616 . . . . 62.1 111.105 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.617 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 36.9 m-85 -60.52 -31.47 70.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.687 -0.233 . . . . 75.23 111.383 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -69.95 -51.53 31.91 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.007 -0.277 . . . . 73.42 111.663 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.6 m -82.58 -29.09 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 112.726 0.639 . . . . 74.32 112.726 -172.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 31.9 tp -101.55 16.62 25.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.098 0.475 . . . . 70.44 111.102 -172.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 8.3 t0 -87.69 100.37 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 64.21 110.524 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -139.18 50.22 0.79 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.55 -1.02 . . . . 43.43 110.55 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.2 mt 63.44 71.63 0.5 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.65 0.738 . . . . 63.23 109.47 -170.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.3 t30 . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 114.99 -1.005 . . . . 65.22 109.986 -175.3 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 121.004 0.431 . . . . 52.42 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -100.89 16.63 24.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 62.22 110.352 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.559 HG21 HG23 ' A' ' 57' ' ' ILE . 19.4 tt -109.76 139.59 32.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.991 -0.549 . . . . 61.5 110.687 -177.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -118.3 108.67 15.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.234 -0.654 . . . . 75.12 109.234 172.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 71' ' ' ILE . 6.2 p -118.79 127.02 53.14 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.464 -0.334 . . . . 71.51 111.475 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 C-N-CA 120.916 -0.659 . . . . 44.31 111.813 178.467 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.9 p . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.889 -0.411 . . . . 72.04 109.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.586 ' HB3' HD13 ' A' ' 11' ' ' LEU . 38.7 mt-30 -79.58 72.86 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.283 -1.006 . . . . 72.35 108.283 172.145 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -63.09 -41.45 99.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.125 -0.943 . . . . 75.12 111.867 -168.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -61.32 -43.1 99.44 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.706 -0.397 . . . . 65.43 109.964 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 8' ' ' GLN . 6.7 mp -66.96 -46.09 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.921 -0.582 . . . . 71.13 110.476 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.46 ' HG3' HG21 ' A' ' 24' ' ' ILE . 41.3 tt0 -60.18 -54.35 46.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.825 -0.625 . . . . 74.31 110.839 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.43 -38.59 81.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.756 . . . . 73.45 110.748 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.64 -50.74 68.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 72.01 110.689 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.87 -40.04 80.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.232 -0.44 . . . . 75.31 111.23 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -68.52 -34.36 75.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.608 -0.269 . . . . 75.13 111.27 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -78.9 -40.13 33.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.896 -0.322 . . . . 71.44 110.832 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.26 80.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.429 -0.351 . . . . 63.32 110.72 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -124.97 92.07 48.27 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.364 -0.38 . . . . 74.13 110.38 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.58 -9.68 26.78 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.613 2.208 . . . . 74.32 111.602 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -93.12 3.91 54.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.119 -0.946 . . . . 73.54 110.201 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -115.82 129.55 56.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.934 0.397 . . . . 74.4 111.652 -175.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.651 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 27.8 mm-40 -82.44 129.18 34.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.639 -0.709 . . . . 74.04 109.682 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.46 HG21 ' HG3' ' A' ' 12' ' ' GLU . 5.7 mm -87.28 110.51 20.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.188 -0.671 . . . . 75.31 109.188 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 14.0 m -109.51 110.27 21.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.993 -0.549 . . . . 60.33 109.854 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 m -89.36 115.15 28.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.565 0.697 . . . . 74.44 111.098 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.915 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 23.8 m -94.06 105.51 17.51 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.762 -0.654 . . . . 63.14 109.646 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -93.75 115.33 27.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.888 -0.597 . . . . 51.11 111.0 -176.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.39 98.86 11.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.252 -0.647 . . . . 71.35 109.252 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.4 t -75.19 122.93 29.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 71.32 110.354 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.76 -65.42 0.31 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.132 -0.787 . . . . 63.24 111.132 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -131.57 134.99 46.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.791 0.329 . . . . 71.24 110.342 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -76.8 69.41 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.684 -0.689 . . . . 73.15 110.538 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -94.95 -77.31 0.47 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.955 -0.566 . . . . 61.41 110.112 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -146.76 145.35 29.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.517 -0.549 . . . . 54.44 109.517 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -113.72 145.76 40.88 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.623 -0.51 . . . . 71.31 109.623 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.915 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 11.1 t -86.4 131.26 34.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.237 -0.438 . . . . 63.0 111.283 -170.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.0 mm -100.48 102.66 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.671 -0.492 . . . . 73.4 109.671 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 4.6 ttmp? -94.88 114.06 25.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.236 0.541 . . . . 73.43 109.778 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.418 HG13 ' HB1' ' A' ' 22' ' ' ALA . 77.8 t -91.15 114.37 28.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.417 -0.811 . . . . 63.22 110.479 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.651 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 50.3 mm -101.61 104.89 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.329 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -150.58 131.32 14.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.207 -0.451 . . . . 71.22 109.989 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.1 m -67.83 -4.64 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.983 -0.553 . . . . 73.12 112.369 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -84.87 -6.26 59.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.408 . . . . 53.44 110.438 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -94.92 -10.64 30.5 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.152 0.501 . . . . 62.12 110.005 172.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -73.92 123.77 24.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.669 . . . . 75.13 110.291 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.21 -2.83 59.69 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.669 -0.776 . . . . 61.23 111.852 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HB3' ' HG3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -81.4 174.85 11.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.139 -0.319 . . . . 74.22 110.139 177.65 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.9 m -128.3 162.27 27.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.008 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -45.84 -60.11 2.42 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.722 0.638 . . . . 71.43 112.722 -173.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.97 -43.56 77.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.965 0.412 . . . . 63.51 111.186 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' OE1' ' HG3' ' A' ' 48' ' ' LYS . 36.7 tt0 -69.47 -44.92 70.2 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.834 -0.621 . . . . 71.2 110.863 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.523 ' HG3' ' HB3' ' A' ' 48' ' ' LYS . 54.4 mt-30 -60.46 -47.39 86.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 70.33 110.476 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -60.79 -47.55 85.83 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.002 -0.544 . . . . 75.33 110.094 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -60.08 -44.26 94.91 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 111.755 0.28 . . . . 74.14 111.755 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 69.2 mtm -58.86 -43.66 90.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.954 -0.298 . . . . 75.15 110.206 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 71' ' ' ILE . 98.2 mt -55.7 -50.49 67.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.084 -0.507 . . . . 62.1 110.686 175.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -64.31 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.978 0.362 . . . . 75.23 111.978 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -81.1 -30.25 34.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.117 0.414 . . . . 73.42 112.117 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -88.51 -34.15 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 120.537 -0.465 . . . . 74.32 111.062 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.1 32.29 2.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.406 0.622 . . . . 70.44 109.533 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -74.55 87.23 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.607 -0.724 . . . . 64.21 110.626 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.43 31.71 1.66 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.673 -0.694 . . . . 43.43 111.62 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.5 mt 60.4 28.01 17.63 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.182 0.438 . . . . 63.23 112.182 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 109.759 -0.46 . . . . 65.22 109.759 175.318 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.2 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.091 -0.337 . . . . 52.42 110.091 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -80.14 87.66 5.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.174 0.512 . . . . 62.22 110.33 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 57' ' ' ILE . 2.8 tp -97.64 119.18 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 61.5 110.211 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 84.8 mm-40 -127.59 118.96 24.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.11 -0.496 . . . . 75.12 110.017 178.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.7 p -92.23 124.52 36.36 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 121.015 -0.274 . . . . 71.51 110.752 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 C-N-CA 121.04 -0.6 . . . . 44.31 112.481 -178.494 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.115 0.483 . . . . 72.04 110.723 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -144.4 147.69 33.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.645 -0.707 . . . . 72.35 109.458 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -60.95 -35.09 75.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.766 0.317 . . . . 75.12 110.57 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -69.61 -37.24 76.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 65.43 110.462 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.69 -46.56 71.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 71.13 110.1 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.61 -43.06 97.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.858 -0.61 . . . . 74.31 110.862 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.25 -45.34 91.45 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.774 -0.454 . . . . 73.45 109.774 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.8 -47.56 82.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 72.01 110.608 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.1 mt -59.83 -48.84 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.234 -0.439 . . . . 75.31 111.006 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -72.52 -27.66 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.687 0.28 . . . . 75.13 111.553 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.15 -38.05 36.96 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.968 -0.293 . . . . 71.44 110.522 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.68 -40.03 63.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.065 0.459 . . . . 63.32 110.446 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -129.55 88.77 49.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.074 -0.512 . . . . 74.13 110.741 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.72 -3.69 14.22 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.621 2.214 . . . . 74.32 111.119 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -99.39 14.66 28.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.699 -1.137 . . . . 73.54 109.581 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.13 139.06 48.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 74.4 111.133 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -98.77 138.55 35.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.425 . . . . 74.04 110.219 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -108.03 117.78 54.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 75.31 110.855 -175.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 13.4 m -122.0 123.35 41.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.096 -0.335 . . . . 60.33 110.096 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 m -83.03 110.35 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.552 0.692 . . . . 74.44 110.622 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 m -94.24 127.26 39.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 63.14 111.106 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 p -85.14 110.24 18.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.731 -0.668 . . . . 51.11 110.98 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.99 -52.0 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.35 110.272 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 32' ' ' ASP . 15.0 p -121.33 -22.25 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.85 -0.614 . . . . 71.32 110.194 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.79 -33.94 6.07 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.872 -0.68 . . . . 63.24 111.49 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.685 ' H ' HG13 ' A' ' 30' ' ' VAL . 25.0 t70 -72.41 153.91 41.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.749 -0.226 . . . . 71.24 110.695 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.625 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . 12.7 m120 -67.02 -15.74 63.92 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.519 0.563 . . . . 73.15 112.519 -174.652 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -60.72 -34.05 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.952 0.723 . . . . 61.41 112.952 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 31.1 p80 -157.41 126.44 5.84 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.918 -0.713 . . . . 54.44 112.745 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.625 ' CE2' ' HA ' ' A' ' 33' ' ' ASN . 93.2 m-85 -128.7 174.19 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.939 -1.028 . . . . 71.31 109.727 174.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.8 m -121.69 138.27 54.41 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.924 -0.399 . . . . 63.0 109.924 171.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.1 mt -99.73 115.7 41.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.962 -0.384 . . . . 73.4 109.962 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 14.0 ttmt -88.93 126.1 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.779 -0.452 . . . . 73.43 109.779 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.2 t -121.32 107.45 20.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.923 -0.581 . . . . 63.22 109.928 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.48 113.05 30.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.275 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.2 t -156.66 146.76 21.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.089 -0.505 . . . . 71.22 110.202 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 m -69.13 -8.79 48.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.144 -0.48 . . . . 73.12 110.831 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -79.19 -10.29 59.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.033 0.444 . . . . 53.44 110.266 175.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -108.3 -10.71 15.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 62.12 110.108 173.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -84.86 143.4 29.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.66 . . . . 75.13 110.286 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 -28.02 6.99 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.61 -0.805 . . . . 61.23 112.146 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -87.71 164.74 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.275 -0.269 . . . . 74.22 110.275 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -97.3 162.98 13.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.096 0.474 . . . . 74.4 111.653 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.655 ' HG3' HD22 ' A' ' 51' ' ' LEU . 16.6 ptpt -55.75 -37.52 68.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.376 -0.829 . . . . 71.43 112.404 -177.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.655 HD22 ' HG3' ' A' ' 50' ' ' LYS . 4.2 mm? -58.41 -47.96 82.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 63.51 110.291 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -60.31 -45.93 91.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.493 -0.776 . . . . 71.2 110.243 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' HG12 ' A' ' 57' ' ' ILE . 88.5 mt-30 -59.75 -46.96 87.56 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.587 -0.733 . . . . 70.33 110.691 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -61.02 -47.48 86.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 75.33 110.824 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 8.6 mpt_? -58.84 -52.34 66.16 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.284 -0.416 . . . . 74.14 111.35 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.427 ' O ' HG23 ' A' ' 60' ' ' VAL . 71.3 mtm -57.17 -49.53 75.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.282 -0.417 . . . . 75.15 111.016 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.531 HG13 HG12 ' A' ' 71' ' ' ILE . 45.9 mm -62.25 -41.07 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 62.1 110.961 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -65.03 -33.75 76.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.024 -0.534 . . . . 75.23 111.046 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -78.2 -41.77 33.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 73.42 111.252 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 56' ' ' MET . 92.3 t -65.92 -44.53 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.957 0.408 . . . . 74.32 110.641 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -94.25 35.19 1.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.108 -0.496 . . . . 70.44 110.172 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.2 125.65 24.11 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.721 -0.672 . . . . 64.21 111.57 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.38 179.17 42.3 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 109.8 -1.32 . . . . 43.43 109.8 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.7 tp -74.99 78.51 2.19 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.924 0.392 . . . . 63.23 110.15 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.925 -0.579 . . . . 65.22 109.498 177.793 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.0 tt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 121.616 0.722 . . . . 52.42 111.633 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.48 1.11 2.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.5 -0.773 . . . . 62.22 110.087 171.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.531 HG12 HG13 ' A' ' 57' ' ' ILE . 2.4 tp -133.99 136.72 53.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.161 -0.927 . . . . 61.5 109.356 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 79.6 mt-30 -122.53 108.31 13.01 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.266 -0.642 . . . . 75.12 109.266 174.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 p -107.11 139.25 41.83 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 116.304 -0.407 . . . . 71.51 111.018 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 C-N-CA 120.946 -0.645 . . . . 44.31 112.347 178.818 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 110.16 -0.311 . . . . 72.04 110.16 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.452 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 5.7 tp-100 63.0 27.31 15.86 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 122.271 1.034 . . . . 72.35 109.628 -175.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 p -65.04 -22.68 67.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.521 -1.218 . . . . 75.12 111.349 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -67.39 -41.48 84.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 65.43 110.382 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 HG13 ' A' ' 38' ' ' ILE . 2.4 tm? -69.31 -40.19 77.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.894 -0.78 . . . . 71.13 108.894 176.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.32 -54.63 43.14 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.677 -0.692 . . . . 74.31 109.937 174.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.3 -35.61 72.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.788 -0.642 . . . . 73.45 111.52 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.42 -48.49 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.037 -0.357 . . . . 72.01 110.037 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.637 HD12 HG21 ' A' ' 38' ' ' ILE . 67.3 mt -68.6 -34.29 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 75.31 110.51 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -61.61 -38.09 86.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.351 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -83.68 -26.33 29.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 71.44 111.308 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.14 -51.31 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.389 -0.369 . . . . 63.32 110.399 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.66 92.82 14.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 74.13 110.151 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.25 -18.18 50.34 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.808 2.339 . . . . 74.32 112.05 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -97.69 22.9 8.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 73.54 110.362 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' A' ' 42' ' ' SER . . . -112.09 134.02 53.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.754 -0.657 . . . . 74.4 110.653 178.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 7.3 mm-40 -78.4 101.09 7.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.386 -0.598 . . . . 74.04 109.386 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 57.4 mt -87.79 110.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.051 -0.522 . . . . 75.31 110.293 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 25.9 m -109.16 111.68 23.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.504 . . . . 60.33 110.764 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 m -83.05 126.94 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.155 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 m -125.56 116.47 21.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.367 -0.378 . . . . 63.14 111.23 -175.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.541 ' HB3' ' CE2' ' A' ' 36' ' ' TYR . 2.4 p -85.47 111.36 19.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.112 0.482 . . . . 51.11 111.005 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -106.84 114.48 28.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.181 0.515 . . . . 71.35 109.96 178.582 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.15 93.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.723 -0.671 . . . . 71.32 109.894 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.14 -115.87 2.61 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.811 -0.709 . . . . 63.24 111.832 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -84.06 -10.8 57.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.539 0.685 . . . . 71.24 109.585 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -155.31 137.81 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.861 -1.063 . . . . 73.15 108.857 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.67 93.8 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.511 -0.551 . . . . 61.41 109.511 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -122.69 158.81 29.26 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.623 -0.717 . . . . 54.44 109.868 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 38.9 m-85 -115.84 130.7 56.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.786 0.327 . . . . 71.31 110.664 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -101.89 145.32 29.39 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.903 -0.777 . . . . 63.0 108.903 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.637 HG21 HD12 ' A' ' 15' ' ' ILE . 42.3 mm -112.55 109.13 27.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 120.924 0.392 . . . . 73.4 110.596 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 35.4 mtmm -89.46 116.83 27.93 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.725 -0.472 . . . . 73.43 109.725 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.37 104.47 17.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 63.22 110.274 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 41.2 mm -102.67 112.46 36.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.062 -0.517 . . . . 73.31 109.913 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.507 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 32.2 t -152.1 147.75 26.83 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.42 -0.512 . . . . 71.22 111.185 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 p -64.41 -18.47 64.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.596 -0.729 . . . . 73.12 110.709 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.82 -16.27 62.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.863 -0.608 . . . . 53.44 110.868 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -111.11 -8.76 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.887 0.375 . . . . 62.12 110.49 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -87.61 125.45 34.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.777 -175.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.37 19.87 70.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.083 -0.58 . . . . 61.23 112.495 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -105.02 157.31 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.191 -0.3 . . . . 74.22 110.191 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.478 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 15.6 m -60.58 132.84 55.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.262 -0.426 . . . . 74.4 110.35 175.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 59.2 mttp -61.67 -40.23 94.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 71.43 110.963 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 96.5 mt -54.27 -46.68 72.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.231 -0.441 . . . . 63.51 110.164 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG2' ' HB2' ' A' ' 49' ' ' SER . 31.4 mm-40 -63.43 -43.0 98.7 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.858 -0.61 . . . . 71.2 111.081 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.522 ' O ' HG12 ' A' ' 57' ' ' ILE . 81.4 mt-30 -57.87 -47.75 81.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.169 0.509 . . . . 70.33 110.118 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -68.94 -39.72 79.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.551 -0.749 . . . . 75.33 110.383 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 51' ' ' LEU . 76.2 mtp180 -53.9 -53.96 45.41 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.104 0.478 . . . . 74.14 110.647 175.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 66.2 mtm -62.99 -46.17 88.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.503 -0.771 . . . . 75.15 111.131 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 53' ' ' GLN . 41.3 mm -64.47 -42.78 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.64 -0.255 . . . . 62.1 111.036 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -66.34 -33.01 74.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.632 0.254 . . . . 75.23 111.061 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -38.52 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.504 -0.317 . . . . 73.42 110.782 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.458 HG13 HD22 ' A' ' 61' ' ' LEU . 14.8 p -80.54 -31.47 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 120.948 -0.301 . . . . 74.32 111.242 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.458 HD22 HG13 ' A' ' 60' ' ' VAL . 4.0 mm? -85.87 6.88 26.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.848 0.356 . . . . 70.44 110.86 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.66 118.56 10.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 64.21 109.883 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.72 52.26 0.27 Allowed Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.654 -0.978 . . . . 43.43 110.654 -173.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 pp -92.82 156.58 16.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.521 -0.34 . . . . 63.23 110.968 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.018 -0.537 . . . . 65.22 109.8 177.45 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 pt . . . . . 0 CA--C 1.532 0.26 0 CA-C-O 121.489 0.661 . . . . 52.42 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.71 18.05 5.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.664 -0.698 . . . . 62.22 109.434 171.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.429 HD13 HD12 ' A' ' 57' ' ' ILE . 7.8 tt -111.12 119.1 58.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.421 -0.809 . . . . 61.5 109.894 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . 49.1 mt-30 -113.44 108.51 17.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.874 -0.603 . . . . 75.12 110.197 -177.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 p -88.83 138.73 31.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.354 -0.385 . . . . 71.51 111.16 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 121.152 -0.547 . . . . 44.31 112.01 177.427 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.51 -0.552 . . . . 72.04 109.51 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.47 58.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 72.35 110.304 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.541 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 67.6 m -66.16 -22.65 66.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.919 0.711 . . . . 75.12 112.919 -172.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -67.64 -40.22 84.58 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.208 -0.597 . . . . 65.43 109.473 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' O ' HG12 ' A' ' 15' ' ' ILE . 3.2 tm? -71.04 -44.07 66.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.726 -0.67 . . . . 71.13 109.293 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.541 ' OE1' ' HA ' ' A' ' 9' ' ' SER . 81.4 mt-10 -57.03 -51.59 68.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.531 . . . . 74.31 110.205 176.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.72 -42.76 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.796 -0.638 . . . . 73.45 110.441 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.22 -49.29 76.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.291 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 11' ' ' LEU . 50.0 mm -59.7 -47.0 92.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.507 -0.315 . . . . 75.31 110.913 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -66.13 -38.25 87.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 75.13 111.368 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.69 -23.07 39.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.446 -0.343 . . . . 71.44 111.126 -176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.69 -47.98 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.715 0.293 . . . . 63.32 110.387 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -128.94 97.8 25.78 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 74.13 110.513 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.45 -25.13 48.73 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.654 2.236 . . . . 74.32 112.126 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -82.03 -1.79 49.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.723 -0.672 . . . . 73.54 111.247 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.29 129.71 43.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.451 -0.34 . . . . 74.4 110.18 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -92.79 131.23 38.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.326 0.584 . . . . 74.04 111.039 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -105.6 117.76 51.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.065 -0.97 . . . . 75.31 109.731 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.557 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 14.3 m -119.17 107.68 13.74 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.877 -0.329 . . . . 60.33 110.185 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.03 115.13 24.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.645 0.736 . . . . 74.44 110.122 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.934 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 12.0 m -94.71 111.54 23.31 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.395 -0.821 . . . . 63.14 110.602 -177.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.601 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 37.5 m -87.08 121.69 29.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.557 -0.747 . . . . 51.11 109.375 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HG ' HG22 ' A' ' 30' ' ' VAL . 2.4 pt? -135.81 -51.87 0.74 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.837 -0.345 . . . . 71.35 111.725 -175.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG22 ' HG ' ' A' ' 29' ' ' LEU . 35.6 m -131.44 148.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 71.32 111.407 -174.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.34 -173.83 32.03 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.492 -0.777 . . . . 63.24 113.648 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' HA ' ' OH ' ' A' ' 36' ' ' TYR . 25.0 t70 -135.73 -63.36 0.66 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.42 -0.585 . . . . 71.24 109.42 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -83.92 53.71 2.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.866 -0.791 . . . . 73.15 108.866 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -136.04 -176.88 4.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 61.41 110.568 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -88.18 137.13 32.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.561 . . . . 54.44 110.3 175.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.601 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 63.4 m-85 -107.76 173.66 6.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.943 -0.571 . . . . 71.31 110.287 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.934 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 23.3 t -86.52 126.13 34.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.888 0.375 . . . . 63.0 110.482 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.3 mm -99.9 105.6 17.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.117 0.484 . . . . 73.4 109.908 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 22.0 ttmm -92.68 113.48 25.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.068 -0.514 . . . . 73.43 109.924 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -98.63 114.53 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.765 -0.652 . . . . 63.22 110.479 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mm -106.06 100.21 10.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.884 -0.598 . . . . 73.31 109.721 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 15.7 m -125.94 136.49 53.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.818 0.342 . . . . 71.22 110.597 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 7.8 t -67.8 -17.21 64.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.804 -0.635 . . . . 73.12 109.536 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -72.19 -8.6 55.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.412 -0.813 . . . . 53.44 111.434 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.467 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 46.3 m-85 -99.28 -10.92 21.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.536 0.198 . . . . 62.12 111.536 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 43' ' ' SER . 19.5 pt20 -78.68 143.61 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 75.13 110.374 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.43 -26.79 12.22 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.371 -0.691 . . . . 61.23 111.371 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -91.8 138.5 31.51 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.362 -0.607 . . . . 74.22 109.362 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB2' ' OE1' ' A' ' 52' ' ' GLU . 20.2 m -81.19 169.76 16.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.376 -0.375 . . . . 74.4 111.045 -173.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -52.17 -34.14 43.69 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.791 -0.64 . . . . 71.43 111.71 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 tt -65.85 -49.7 67.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.386 . . . . 63.51 110.398 -174.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE1' ' HB2' ' A' ' 49' ' ' SER . 2.6 mp0 -58.96 -44.62 91.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.19 0.519 . . . . 71.2 110.025 177.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 57' ' ' ILE . 78.7 mt-30 -59.7 -43.75 93.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 70.33 110.527 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -61.17 -42.45 98.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.309 -0.405 . . . . 75.33 110.966 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -58.0 -49.63 76.2 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.321 0.581 . . . . 74.14 110.558 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.45 ' O ' HG23 ' A' ' 60' ' ' VAL . 82.0 mtp -58.63 -52.96 63.46 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.975 -1.011 . . . . 75.15 110.434 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.542 HG23 HD13 ' A' ' 71' ' ' ILE . 68.8 mt -57.54 -43.12 82.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.075 0.464 . . . . 62.1 110.292 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -54.34 -47.98 71.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.391 -0.822 . . . . 75.23 111.355 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 23.9 mmtt -86.04 -23.95 26.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.308 0.855 . . . . 73.42 113.308 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 56' ' ' MET . 48.2 t -68.02 -47.6 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.595 -0.442 . . . . 74.32 110.077 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.93 -33.61 45.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.146 -0.479 . . . . 70.44 110.049 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 61.47 33.76 18.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.311 -0.859 . . . . 64.21 110.15 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.43 149.06 19.8 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.503 -0.771 . . . . 43.43 111.302 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.15 99.15 5.3 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.945 0.402 . . . . 63.23 110.462 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 C--N 1.322 -0.596 0 CA-C-O 121.068 0.461 . . . . 65.22 110.642 179.821 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 121.868 0.842 . . . . 52.42 110.023 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -96.89 -2.1 44.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.39 -0.823 . . . . 62.22 111.851 -174.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.542 HD13 HG23 ' A' ' 57' ' ' ILE . 8.0 tt -113.15 119.25 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.235 0.54 . . . . 61.5 110.215 174.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -116.74 119.87 36.82 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.333 -0.617 . . . . 75.12 109.333 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.0 m -107.56 129.74 54.95 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.45 -0.341 . . . . 71.51 111.406 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 C-N-CA 120.976 -0.63 . . . . 44.31 113.624 173.868 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.666 -0.494 . . . . 72.04 109.666 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.29 88.79 3.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.411 -0.589 . . . . 72.35 109.411 175.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 m -59.3 -33.68 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.324 -0.853 . . . . 75.12 112.113 -174.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.44 -37.44 87.54 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.692 -0.403 . . . . 65.43 110.566 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.44 -42.75 71.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.944 0.402 . . . . 71.13 110.111 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -59.79 -51.42 69.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.825 -0.625 . . . . 74.31 109.785 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.99 -38.96 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.661 -0.7 . . . . 73.45 110.662 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.0 -49.35 78.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.745 0.307 . . . . 72.01 110.487 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -64.72 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.654 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -69.08 -33.93 74.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 75.13 111.152 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -78.32 -33.33 49.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 71.44 110.599 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.06 -45.29 34.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 63.32 110.726 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -126.81 89.81 51.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.388 -0.369 . . . . 74.13 110.644 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.72 6.73 3.1 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 123.012 2.475 . . . . 74.32 111.968 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -115.99 13.18 15.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.559 -0.746 . . . . 73.54 110.303 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -112.19 131.82 55.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.521 . . . . 74.4 112.204 -174.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.742 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -85.34 106.95 17.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.832 -0.803 . . . . 74.04 108.832 174.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.4 mt -90.71 124.17 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.874 -0.603 . . . . 75.31 111.549 -174.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.653 ' HB ' ' HE2' ' A' ' 39' ' ' LYS . 86.7 m -135.2 128.79 32.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.297 -0.411 . . . . 60.33 110.643 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.1 m -100.42 121.26 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.0 0.429 . . . . 74.44 110.174 174.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.6 m -120.85 121.13 37.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.233 -0.44 . . . . 63.14 111.293 -176.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 m -80.74 131.11 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.291 -0.413 . . . . 51.11 110.245 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 37' ' ' SER . 7.6 mp -78.82 82.62 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.458 -0.337 . . . . 71.35 110.803 -177.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.4 m 40.26 31.12 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.553 1.141 . . . . 71.32 112.834 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.47 124.94 1.31 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 111.217 -0.753 . . . . 63.24 111.217 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -67.49 -40.07 85.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.834 0.349 . . . . 71.24 111.083 -172.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -111.47 13.11 21.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.859 0.361 . . . . 73.15 110.984 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.03 -79.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.914 0.388 . . . . 61.41 110.748 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -146.19 152.84 39.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.277 -0.42 . . . . 54.44 110.327 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -119.48 135.5 54.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.019 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 29' ' ' LEU . 9.6 t -106.46 126.22 51.98 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.958 -0.756 . . . . 63.0 108.958 173.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.8 mp -99.83 104.27 15.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.445 -0.576 . . . . 73.4 109.445 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.653 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 29.6 ttpt -87.02 116.0 24.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.777 -0.647 . . . . 73.43 110.219 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.403 HG13 ' HB1' ' A' ' 22' ' ' ALA . 61.4 t -113.07 104.28 16.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.958 -0.564 . . . . 63.22 109.497 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.742 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 39.6 mm -95.11 107.79 19.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.137 0.494 . . . . 73.31 110.785 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -151.06 136.36 17.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.532 -0.758 . . . . 71.22 109.52 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.1 m -70.37 -2.45 13.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.324 0.583 . . . . 73.12 110.486 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.98 -20.65 45.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.591 -0.731 . . . . 53.44 110.371 176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.43 -10.84 47.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.468 -0.333 . . . . 62.12 111.504 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -81.08 127.61 32.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.179 -0.304 . . . . 75.13 110.179 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.07 2.23 58.18 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.723 -0.751 . . . . 61.23 112.033 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -92.51 132.98 36.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.142 -0.318 . . . . 74.22 110.142 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -75.91 157.04 33.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.095 -0.502 . . . . 74.4 110.283 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -54.82 -41.94 71.29 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.594 0.59 . . . . 71.43 112.594 -174.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.08 -44.33 96.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.701 -0.4 . . . . 63.51 110.404 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -64.31 -41.38 96.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.993 -0.549 . . . . 71.2 110.487 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.513 ' O ' HG12 ' A' ' 57' ' ' ILE . 54.2 mt-30 -57.7 -47.29 82.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.146 -0.479 . . . . 70.33 110.022 176.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -62.05 -48.12 81.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.757 -0.656 . . . . 75.33 110.028 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -54.52 -50.95 66.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.887 -0.597 . . . . 74.14 111.382 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.8 mtm -62.13 -47.81 82.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 75.15 111.128 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 53' ' ' GLN . 37.7 mm -64.36 -48.04 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.541 -0.299 . . . . 62.1 111.213 -178.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.515 ' HB3' HD23 ' A' ' 64' ' ' LEU . 17.9 m-85 -63.95 -31.21 72.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.514 -0.312 . . . . 75.23 111.001 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -73.07 -48.95 31.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.712 -0.222 . . . . 73.42 111.169 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.85 -34.74 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 120.863 0.363 . . . . 74.32 111.484 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -85.99 -15.49 41.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.756 0.312 . . . . 70.44 110.194 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 t70 55.97 77.79 0.22 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.182 -0.917 . . . . 64.21 110.774 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.5 83.69 0.1 Allowed Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.239 -0.892 . . . . 43.43 111.854 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 58' ' ' TYR . 80.2 mt -83.15 -4.76 58.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.942 0.401 . . . . 63.23 110.907 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.925 -0.58 . . . . 65.22 111.618 -176.204 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 69' ' ' ILE . 3.5 mp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.824 0.821 . . . . 52.42 110.063 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -104.76 4.88 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.031 -0.986 . . . . 62.22 109.133 175.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 tp -96.95 122.83 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.957 -1.02 . . . . 61.5 109.242 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.55 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . 62.1 tp60 -106.28 110.02 22.13 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.289 0.566 . . . . 75.12 110.829 -175.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.3 p -124.1 146.5 48.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.512 -0.767 . . . . 71.51 109.937 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.879 -0.677 . . . . 44.31 113.032 -176.258 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 109.267 -0.642 . . . . 72.04 109.267 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -76.05 90.66 3.05 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.741 -0.466 . . . . 72.35 109.741 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -59.52 -34.64 72.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.523 -0.762 . . . . 75.12 111.469 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -64.1 -38.43 91.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.33 -0.396 . . . . 65.43 110.119 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.63 -50.58 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 71.13 110.225 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -52.85 -52.29 57.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.814 -0.63 . . . . 74.31 110.372 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.24 -47.36 86.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.6 -0.727 . . . . 73.45 111.305 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.97 -50.87 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.646 0.26 . . . . 72.01 111.166 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.5 mt -68.89 -39.76 80.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.308 -0.406 . . . . 75.31 110.781 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -66.26 -38.46 87.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 75.13 110.964 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -75.96 -32.92 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.441 -0.345 . . . . 71.44 110.603 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -49.94 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.39 -0.368 . . . . 63.32 111.212 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.71 96.95 19.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.85 0.357 . . . . 74.13 110.806 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.81 -12.09 26.18 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.844 2.363 . . . . 74.32 112.166 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -96.8 10.24 39.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 73.54 110.93 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.08 133.16 52.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.969 0.414 . . . . 74.4 111.124 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.83 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 2.5 mp0 -81.31 114.56 20.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.891 -0.595 . . . . 74.04 109.938 174.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.7 mt -92.93 111.02 23.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.71 -0.677 . . . . 75.31 110.418 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 27.3 m -127.78 105.68 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.03 0.443 . . . . 60.33 111.291 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.1 m -83.37 128.21 38.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.21 0.529 . . . . 74.44 110.664 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 8.2 m -106.28 125.02 50.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.996 -0.547 . . . . 63.14 109.758 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 p -91.73 125.04 36.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.664 0.268 . . . . 51.11 111.039 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.41 ' HB3' ' H ' ' A' ' 30' ' ' VAL . 3.2 mm? -124.83 -160.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.291 -0.633 . . . . 71.35 109.291 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.41 ' H ' ' HB3' ' A' ' 29' ' ' LEU . 7.1 p -66.13 135.77 27.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.907 -0.405 . . . . 71.32 109.907 175.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.37 46.59 5.77 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 110.752 -0.939 . . . . 63.24 110.752 -174.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -47.45 -68.66 0.17 Allowed 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.638 0.775 . . . . 71.24 112.543 -172.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -79.8 17.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.039 -0.528 . . . . 73.15 112.332 -168.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -124.04 -35.33 2.85 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.75 -0.38 . . . . 61.41 111.101 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -156.99 115.6 3.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.177 0.513 . . . . 54.44 111.778 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -103.87 157.83 16.82 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.038 -0.727 . . . . 71.31 109.038 172.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 37.9 m -90.44 118.69 30.11 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.785 -0.82 . . . . 63.0 108.785 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 tp -99.46 110.94 27.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.686 0.755 . . . . 73.4 111.03 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 68.9 mttm -86.16 109.55 18.96 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.146 -0.934 . . . . 73.43 109.588 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -97.25 103.94 15.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.338 -0.986 . . . . 63.22 108.338 172.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.83 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 21.1 mm -97.29 103.79 15.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.685 -0.689 . . . . 73.31 109.692 -175.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.4 t -149.14 135.08 18.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.244 -0.434 . . . . 71.22 110.562 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.5 t -61.23 -16.41 44.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 73.12 110.469 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -74.18 -14.24 60.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.738 -0.665 . . . . 53.44 111.417 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -92.84 -10.99 34.78 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.883 0.373 . . . . 62.12 111.012 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -94.81 125.6 39.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 75.13 110.465 -175.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.16 -22.67 39.69 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.868 -0.682 . . . . 61.23 111.467 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -70.51 151.71 44.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.785 -0.45 . . . . 74.22 109.785 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.641 ' HB3' ' HG3' ' A' ' 52' ' ' GLU . 19.3 t -66.28 149.46 50.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.175 -0.305 . . . . 74.4 110.175 176.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -64.21 -31.12 72.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.151 -0.314 . . . . 71.43 110.151 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.54 -44.13 97.11 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.621 -0.511 . . . . 63.51 109.621 175.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.641 ' HG3' ' HB3' ' A' ' 49' ' ' SER . 44.3 mt-10 -61.57 -49.09 78.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.778 -0.646 . . . . 71.2 109.823 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.478 ' O ' HG12 ' A' ' 57' ' ' ILE . 35.5 mt-30 -54.47 -47.06 73.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.526 -0.761 . . . . 70.33 111.289 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -64.13 -43.07 96.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.574 -0.285 . . . . 75.33 111.009 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -66.77 -41.96 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 74.14 111.332 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.0 mtp -60.27 -50.29 74.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.415 -0.357 . . . . 75.15 110.217 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.737 ' HA ' HG22 ' A' ' 60' ' ' VAL . 39.1 mm -63.07 -38.0 80.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.186 0.517 . . . . 62.1 110.312 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.601 ' HD1' ' HB3' ' A' ' 65' ' ' ASN . 43.2 t80 -58.83 -38.51 78.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 75.23 110.416 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -85.88 -39.48 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.198 0.444 . . . . 73.42 112.198 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 57' ' ' ILE . 33.7 m -67.1 -35.58 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 120.478 -0.489 . . . . 74.32 111.249 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.8 mt -79.2 -27.48 42.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.279 -0.637 . . . . 70.44 109.279 173.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 t70 53.75 73.07 0.4 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.749 -1.114 . . . . 64.21 110.816 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.87 -162.7 29.25 Favored Glycine 0 N--CA 1.439 -1.124 0 N-CA-C 110.635 -0.986 . . . . 43.43 110.635 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.4 mt -90.48 96.42 10.64 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.006 0.431 . . . . 63.23 111.004 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . 0.601 ' HB3' ' HD1' ' A' ' 58' ' ' TYR . 40.6 t30 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.754 -0.657 . . . . 65.22 109.612 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.5 mm . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 121.063 0.458 . . . . 52.42 110.44 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -78.76 -35.47 44.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.745 -0.662 . . . . 62.22 110.907 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.4 tp -97.37 129.95 46.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.107 -0.497 . . . . 61.5 111.188 -174.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 86.2 mt-30 -125.67 116.67 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.531 -0.544 . . . . 75.12 109.531 174.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -114.44 127.68 55.95 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.256 -0.429 . . . . 71.51 111.256 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.683 0 C-N-CA 120.764 -0.732 . . . . 44.31 111.857 -178.39 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.741 0.305 . . . . 72.04 110.683 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.97 -17.85 62.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 72.35 110.43 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 m -61.39 -38.32 86.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.029 -0.532 . . . . 75.12 110.587 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.34 -43.29 99.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 65.43 110.032 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.16 -46.94 78.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.461 -0.791 . . . . 71.13 110.583 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HA ' HD13 ' A' ' 24' ' ' ILE . 29.8 mt-10 -57.82 -51.15 70.76 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.513 -0.312 . . . . 74.31 111.023 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.412 ' HG ' ' OD1' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -56.14 -48.13 76.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.449 -0.341 . . . . 73.45 110.91 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.56 -51.25 65.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.99 0.424 . . . . 72.01 111.115 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.416 ' HB ' ' CD1' ' A' ' 24' ' ' ILE . 48.4 mm -67.94 -39.69 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.798 -0.637 . . . . 75.31 110.75 -178.242 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -72.54 -24.03 61.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 75.13 111.227 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HG ' ' A' ' 13' ' ' LEU . 11.0 m120 -81.58 -44.71 16.89 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.821 -0.437 . . . . 71.44 109.821 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.98 80.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.002 -0.544 . . . . 63.32 110.857 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' HE2' ' HB ' ' A' ' 60' ' ' VAL . 91.7 m-85 -126.23 95.33 39.12 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.398 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.01 -15.31 46.52 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.893 2.395 . . . . 74.32 111.617 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -88.42 -11.43 46.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.332 -0.849 . . . . 73.54 110.917 -177.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -96.06 129.44 43.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.366 0.506 . . . . 74.4 112.366 -170.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.615 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 60.7 mm-40 -88.77 124.8 34.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.558 -0.747 . . . . 74.04 109.345 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 12' ' ' GLU . 33.3 mt -94.13 110.75 24.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.442 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.552 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 15.6 m -109.64 105.79 15.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.839 0.352 . . . . 60.33 110.62 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.15 106.54 15.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.466 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.0 m -96.78 123.35 40.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 63.14 110.515 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.411 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 23.1 t -78.97 134.52 36.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.225 -0.443 . . . . 51.11 110.105 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 35' ' ' HIS . 62.5 mt -102.01 125.29 48.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.014 0.435 . . . . 71.35 110.251 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -65.88 167.43 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 71.32 112.16 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.05 -134.03 9.64 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.953 -0.641 . . . . 63.24 112.063 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -136.05 0.25 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.385 0.612 . . . . 71.24 110.407 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -100.48 146.6 26.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 73.15 109.966 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.94 80.0 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.208 -0.664 . . . . 61.41 109.208 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.623 ' HB3' HD12 ' A' ' 29' ' ' LEU . 1.4 m-70 -122.9 135.98 54.7 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.509 -0.769 . . . . 54.44 110.097 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.411 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 95.2 m-85 -132.28 159.08 40.17 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.909 -0.587 . . . . 71.31 110.085 177.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.2 m -118.54 119.31 34.14 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.058 -0.719 . . . . 63.0 109.058 171.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 pt -99.36 105.64 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.644 0.735 . . . . 73.4 109.981 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 39.2 ttpt -85.97 113.22 21.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.083 -0.962 . . . . 73.43 110.16 -177.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' HB1' ' A' ' 22' ' ' ALA . 45.8 t -91.99 107.09 18.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.288 -0.869 . . . . 63.22 110.184 -179.144 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.615 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 47.9 mm -94.89 103.9 15.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.334 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.447 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 37.2 t -157.35 130.96 7.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 71.22 110.698 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.3 t -66.28 -13.55 60.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 73.12 110.451 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -62.93 -26.45 68.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 53.44 110.739 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -89.11 -9.87 49.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.033 0.444 . . . . 62.12 110.812 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.42 137.57 32.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.291 -0.633 . . . . 75.13 109.291 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.43 -9.28 62.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.191 -0.528 . . . . 61.23 112.445 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 12.2 mptt -103.81 149.44 25.04 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.195 -0.298 . . . . 74.22 110.195 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.519 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 44.4 m -84.46 171.08 12.87 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.227 -0.286 . . . . 74.4 110.227 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -51.84 -46.09 64.23 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.724 0.638 . . . . 71.43 112.724 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.55 -47.47 85.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.825 0.345 . . . . 63.51 110.551 -176.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 44.2 mt-10 -58.72 -46.08 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 71.2 110.616 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 49' ' ' SER . 49.9 mt-30 -60.09 -47.29 86.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 70.33 110.807 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.15 -41.27 99.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.315 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 22.9 mtt180 -64.74 -37.19 86.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.505 -0.316 . . . . 74.14 111.469 178.319 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 74.1 mtm -65.63 -36.84 84.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.873 0.368 . . . . 75.15 110.122 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.794 HG23 HD13 ' A' ' 71' ' ' ILE . 86.3 mt -61.73 -41.48 90.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.971 -0.559 . . . . 62.1 110.209 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' A' ' 55' ' ' ARG . 23.8 m-85 -64.59 -35.06 79.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.638 177.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 55' ' ' ARG . 54.9 mtpt -65.09 -51.66 60.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 73.42 111.54 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.569 ' HB ' ' HE2' ' A' ' 19' ' ' PHE . 7.7 p -72.87 -36.47 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 74.32 112.116 -173.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 61' ' ' LEU . 2.2 tm? -89.43 -26.87 20.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.67 0.271 . . . . 70.44 110.559 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 57.05 70.16 0.68 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.343 0.592 . . . . 64.21 109.655 -171.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.5 -157.52 22.63 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.642 -0.789 . . . . 43.43 112.67 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -149.85 -164.66 2.07 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.195 -0.668 . . . . 63.23 109.195 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.636 0.731 . . . . 65.22 111.209 178.169 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.017 0.437 . . . . 52.42 110.183 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -106.26 -13.86 15.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 62.22 110.979 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.794 HD13 HG23 ' A' ' 57' ' ' ILE . 17.4 tt -119.98 138.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.093 0.473 . . . . 61.5 111.18 -175.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 6.3 tp60 -133.49 148.87 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.703 -0.851 . . . . 75.12 108.703 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.4 p -120.54 141.62 50.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.12 0.486 . . . . 71.51 111.529 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.476 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 111.226 -0.75 . . . . 44.31 111.226 176.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.98 -0.378 . . . . 72.04 109.98 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -89.42 93.32 9.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.967 0.413 . . . . 72.35 109.911 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m -65.3 -26.26 67.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.635 -0.711 . . . . 75.12 110.892 -176.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -66.45 -40.84 89.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 65.43 110.297 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.6 -41.83 83.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.42 -0.585 . . . . 71.13 109.42 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.44 -41.17 98.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 74.31 110.372 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.09 -39.71 90.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 73.45 110.302 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 tp -60.37 -50.8 72.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.158 -0.474 . . . . 72.01 110.402 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.16 -35.43 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.643 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.478 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -68.4 -33.1 73.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.532 -178.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -81.17 -29.58 34.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.937 -0.305 . . . . 71.44 110.905 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.0 -55.3 5.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.374 . . . . 63.32 110.991 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -132.32 84.0 53.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.13 109.885 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.93 -43.52 6.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.812 2.342 . . . . 74.32 113.445 -173.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.52 -2.45 58.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.464 -0.335 . . . . 73.54 111.789 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.2 162.99 21.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.5 -0.318 . . . . 74.4 110.694 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.959 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 7.6 tp10 -74.98 103.73 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.698 -0.482 . . . . 74.04 109.698 176.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.99 110.83 23.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.86 -0.609 . . . . 75.31 110.073 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.9 m -132.33 123.59 27.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.334 -0.393 . . . . 60.33 110.593 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 m -93.15 120.61 42.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.106 0.479 . . . . 74.44 109.773 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.951 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 31.4 m -93.23 105.21 17.32 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.069 0.462 . . . . 63.14 110.059 -177.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -89.61 108.47 19.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.704 -0.68 . . . . 51.11 109.952 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 29' ' ' LEU . 2.5 pt? -128.44 -170.02 2.18 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.646 -0.707 . . . . 71.35 109.534 -178.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.96 96.43 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.929 0.871 . . . . 71.32 110.236 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.99 40.93 1.42 Allowed Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.101 -0.954 . . . . 63.24 111.112 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 60.01 20.18 9.29 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.055 0.542 . . . . 71.24 110.85 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.8 18.5 9.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.422 -0.808 . . . . 73.15 111.285 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -119.45 -55.32 2.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.381 -0.372 . . . . 61.41 110.959 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB3' HE22 ' A' ' 70' ' ' GLN . 5.0 m80 -99.79 123.2 43.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.004 0.43 . . . . 54.44 111.362 -177.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -116.09 163.7 15.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.593 -0.73 . . . . 71.31 109.402 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.951 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 28.4 m -86.46 139.08 31.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.961 0.41 . . . . 63.0 110.756 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.02 113.89 36.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.517 -0.549 . . . . 73.4 109.517 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -110.97 116.72 31.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.041 0.448 . . . . 73.43 110.413 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.49 107.58 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.943 -0.571 . . . . 63.22 110.056 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.959 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 49.7 mm -96.13 107.62 19.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.176 0.512 . . . . 73.31 110.188 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -141.98 147.8 37.54 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.711 -0.677 . . . . 71.22 109.857 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -63.91 -14.42 53.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.39 -0.368 . . . . 73.12 110.961 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.54 -15.29 61.77 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.894 0.378 . . . . 53.44 110.757 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HB3' ' CA ' ' A' ' 74' ' ' GLY . 60.2 m-85 -105.83 -10.56 16.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 62.12 111.009 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -87.64 133.15 33.87 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.922 0.391 . . . . 75.13 110.588 -173.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.96 12.95 83.0 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.982 -0.553 . . . . 61.23 112.7 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -93.68 143.11 26.61 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.853 -0.425 . . . . 74.22 109.853 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.8 m -79.63 170.89 15.89 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.581 -0.526 . . . . 74.4 109.581 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -53.43 -42.7 67.35 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.774 0.287 . . . . 71.43 111.774 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.62 -56.1 24.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.674 0.274 . . . . 63.51 110.774 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -57.89 -43.68 86.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.935 -0.575 . . . . 71.2 111.462 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' O ' HG12 ' A' ' 57' ' ' ILE . 46.5 mt-30 -65.39 -43.58 90.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.618 -0.264 . . . . 70.33 111.138 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.81 -41.48 95.77 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.844 -0.428 . . . . 75.33 109.844 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.64 -46.06 91.73 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.7 -0.682 . . . . 74.14 111.111 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.4 mmm -62.03 -44.65 96.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.063 -0.517 . . . . 75.15 110.943 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.532 ' HA ' HG12 ' A' ' 60' ' ' VAL . 40.3 mm -68.12 -38.22 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 62.1 110.461 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.03 -31.78 72.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.117 0.484 . . . . 75.23 110.332 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 59' ' ' LYS . 38.3 ttmt -75.06 -46.64 33.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.789 -0.641 . . . . 73.42 110.931 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 57' ' ' ILE . 11.4 p -71.83 -38.53 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 120.647 0.26 . . . . 74.32 111.281 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HG ' HG13 ' A' ' 60' ' ' VAL . 90.8 mt -98.93 35.89 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.113 0.482 . . . . 70.44 110.362 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.11 140.43 52.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.35 -0.841 . . . . 64.21 111.729 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.88 -43.16 0.84 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.098 -0.801 . . . . 43.43 111.098 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.8 mt -139.68 175.29 9.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.395 -0.594 . . . . 63.23 109.395 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 t30 . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 107.679 -1.23 . . . . 65.22 107.679 171.762 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.625 HG22 ' HG3' ' A' ' 70' ' ' GLN . 59.6 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.509 -0.923 . . . . 52.42 108.509 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.625 ' HG3' HG22 ' A' ' 69' ' ' ILE . 97.0 mt-30 68.26 21.4 8.48 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.596 0.56 . . . . 62.22 110.848 -178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.2 tp -97.26 126.25 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.72 -0.673 . . . . 61.5 109.197 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -123.92 107.81 11.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.176 0.513 . . . . 75.12 109.685 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 p -155.81 145.1 20.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.365 -0.834 . . . . 71.51 110.669 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 121.072 -0.585 . . . . 44.31 113.857 171.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.694 -0.484 . . . . 72.04 109.694 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -119.21 81.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.857 0.36 . . . . 72.35 110.388 -176.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -52.03 -52.87 48.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.734 0.642 . . . . 75.12 112.734 -172.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -70.89 -25.26 62.71 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.858 -0.337 . . . . 65.43 111.071 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.06 -50.94 24.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.132 -0.692 . . . . 71.13 109.132 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.513 ' HG3' HG21 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -51.27 -47.2 62.57 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.043 -0.526 . . . . 74.31 110.426 173.509 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.47 -47.48 83.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.671 -0.695 . . . . 73.45 110.671 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.74 -48.58 80.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.849 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.24 -41.22 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.38 . . . . 75.31 110.838 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -66.01 -30.98 71.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 75.13 111.06 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -80.42 -32.99 37.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.511 -0.313 . . . . 71.44 111.018 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.26 -47.44 43.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.134 0.493 . . . . 63.32 110.433 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -131.58 99.46 17.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.607 -0.724 . . . . 74.13 109.812 178.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.7 -26.76 45.49 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.63 2.22 . . . . 74.32 112.101 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -96.54 35.33 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.625 -0.716 . . . . 73.54 110.365 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.45 139.86 49.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 74.4 111.993 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.692 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 13.9 mm-40 -91.48 119.72 31.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.58 -0.736 . . . . 74.04 109.516 171.38 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.513 HG21 ' HG3' ' A' ' 12' ' ' GLU . 4.6 mp -99.92 110.98 28.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.816 0.341 . . . . 75.31 110.115 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.556 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 22.9 m -115.31 107.75 15.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.058 0.456 . . . . 60.33 111.049 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.7 t -84.05 107.77 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.865 -0.607 . . . . 74.44 109.64 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -109.27 142.68 39.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.38 0.61 . . . . 63.14 111.503 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 m -93.64 130.9 39.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.35 -0.841 . . . . 51.11 109.8 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.02 -36.75 75.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.568 -0.287 . . . . 71.35 111.032 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t 61.72 89.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.527 0.679 . . . . 71.32 109.785 -175.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.52 -41.24 1.57 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.181 -1.167 . . . . 63.24 110.181 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -117.47 102.41 9.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.411 -0.959 . . . . 71.24 108.411 169.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -112.55 17.31 19.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.792 0.329 . . . . 73.15 111.834 -173.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.33 -30.03 68.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.208 0.528 . . . . 61.41 110.347 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.39 163.88 32.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.592 -0.731 . . . . 54.44 109.361 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -105.77 153.38 21.96 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.371 -0.604 . . . . 71.31 109.371 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m -91.75 133.93 35.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.851 0.358 . . . . 63.0 110.703 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mm -99.61 107.27 20.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.087 -0.506 . . . . 73.4 109.886 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 54.0 mtpt -92.45 121.51 33.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.003 -0.544 . . . . 73.43 110.116 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.86 111.83 37.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.99 -0.55 . . . . 63.22 110.552 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.692 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 45.7 mm -105.52 98.62 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.621 -0.511 . . . . 73.31 109.621 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 27.2 t -131.94 141.98 49.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.107 0.48 . . . . 71.22 111.208 -178.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.3 m -66.53 -5.12 10.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.46 -0.791 . . . . 73.12 111.047 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -84.77 -6.45 59.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.282 -0.417 . . . . 53.44 111.235 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD2' ' HB3' ' A' ' 42' ' ' SER . 67.6 m-85 -102.92 8.46 39.11 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 111.973 0.36 . . . . 62.12 111.973 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -72.13 123.5 23.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.57 0.7 . . . . 75.13 111.099 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.4 9.37 86.58 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.437 -0.801 . . . . 61.23 113.118 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 3.7 mptp? -81.73 130.86 35.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.452 0.644 . . . . 74.22 111.034 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 22.8 p -85.0 163.84 18.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.834 -1.075 . . . . 74.4 109.831 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -59.08 -39.97 83.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 121.062 -0.255 . . . . 71.43 111.088 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.42 -49.14 78.77 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.174 0.512 . . . . 63.51 109.843 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' CD ' ' HG3' ' A' ' 48' ' ' LYS . 62.8 tt0 -59.62 -49.6 77.13 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.179 -0.919 . . . . 71.2 110.706 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 49' ' ' SER . 79.7 mt-30 -55.21 -47.6 75.07 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.998 -0.546 . . . . 70.33 110.745 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -60.41 -45.93 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 75.33 110.649 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -61.41 -42.86 99.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 111.627 0.232 . . . . 74.14 111.627 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 73.3 mtm -63.35 -46.84 84.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.543 0.211 . . . . 75.15 111.165 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 71' ' ' ILE . 82.7 mt -59.58 -47.27 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.182 0.515 . . . . 62.1 110.281 177.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -61.27 -32.49 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.573 -0.74 . . . . 75.23 110.944 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -75.1 -50.61 15.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.536 . . . . 73.42 111.261 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.11 -34.62 64.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.641 -0.254 . . . . 74.32 111.336 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -79.22 -38.89 34.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.685 -0.487 . . . . 70.44 109.685 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 50.55 75.35 0.18 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.496 -0.775 . . . . 64.21 111.347 -177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 174.01 -162.5 33.12 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 110.343 -1.103 . . . . 43.43 110.343 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.92 114.75 26.4 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.955 0.407 . . . . 63.23 110.185 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.978 -0.555 . . . . 65.22 109.883 -177.86 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.8 mm . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.266 0.555 . . . . 52.42 111.35 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -94.24 -45.2 7.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.681 0.753 . . . . 62.22 109.555 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.567 HG21 HD13 ' A' ' 57' ' ' ILE . 2.7 tp -114.46 126.04 71.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.933 -1.03 . . . . 61.5 110.169 -175.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.55 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 10.1 mm100 -127.0 120.41 28.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.968 0.413 . . . . 75.12 110.67 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 m -116.05 119.98 37.6 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.679 -0.489 . . . . 71.51 109.679 175.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 C-N-CA 120.687 -0.768 . . . . 44.31 111.646 -176.45 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.446 HG22 HG21 ' A' ' 26' ' ' VAL . 38.0 p . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.14 0.495 . . . . 72.04 111.54 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -99.82 99.84 10.7 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.796 -0.816 . . . . 72.35 108.796 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 t -55.16 -38.49 68.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.928 -1.033 . . . . 75.12 111.611 -171.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.35 -53.98 52.03 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.128 -0.229 . . . . 65.43 111.238 -177.028 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 12' ' ' GLU . 4.6 pp -71.62 -33.51 69.03 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.842 -0.343 . . . . 71.13 111.39 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.505 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.14 -49.66 69.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.103 0.478 . . . . 74.31 109.823 177.132 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.587 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 2.3 tt -60.34 -36.37 77.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.405 -0.816 . . . . 73.45 110.733 177.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.54 -50.89 72.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 72.01 110.203 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 11' ' ' LEU . 49.6 mm -62.71 -44.58 99.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.998 0.428 . . . . 75.31 110.534 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 tpt85 -64.15 -37.68 88.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 75.13 111.457 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.587 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 22.0 m-80 -80.83 -34.63 33.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.467 -0.333 . . . . 71.44 111.14 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -43.86 78.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.767 0.317 . . . . 63.32 110.354 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.16 104.86 16.48 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.527 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.2 -13.43 36.05 Favored 'Trans proline' 0 CA--C 1.528 0.199 0 C-N-CA 122.71 2.273 . . . . 74.32 111.954 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -98.97 16.57 22.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.716 -0.675 . . . . 73.54 110.198 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.9 129.64 51.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.961 -0.563 . . . . 74.4 111.714 -176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.743 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 37.3 tt0 -100.0 117.63 34.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.289 -0.869 . . . . 74.04 109.038 172.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 24' ' ' ILE . 4.4 mp -96.23 110.69 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.963 -0.384 . . . . 75.31 109.963 -178.13 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 89.4 m -116.7 108.28 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.787 0.327 . . . . 60.33 110.505 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG21 HG22 ' A' ' 7' ' ' THR . 19.1 m -84.3 126.27 40.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.253 0.549 . . . . 74.44 110.449 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 17.1 m -121.68 122.71 40.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.89 -0.596 . . . . 63.14 111.055 -177.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.0 t -78.82 122.08 25.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.215 -0.661 . . . . 51.11 109.215 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 35' ' ' HIS . 10.7 mp -66.54 105.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 71.35 110.827 -177.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.36 134.14 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 71.32 110.785 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.14 -69.78 0.28 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.831 -0.699 . . . . 63.24 111.887 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.39 -40.78 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.668 0.27 . . . . 71.24 111.297 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.73 43.83 14.93 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.587 0.708 . . . . 73.15 109.294 -169.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -65.72 -25.93 67.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.395 -0.82 . . . . 61.41 110.612 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' O ' HD13 ' A' ' 29' ' ' LEU . 72.7 m80 -146.43 172.45 13.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.56 -0.904 . . . . 54.44 108.56 178.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.37 126.86 55.74 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.147 -0.686 . . . . 71.31 109.147 174.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.468 ' HB2' HD11 ' A' ' 29' ' ' LEU . 28.0 t -86.79 120.9 28.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.976 0.417 . . . . 63.0 110.149 -176.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 tt -100.06 105.61 17.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.592 0.711 . . . . 73.4 110.222 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.562 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 27.2 mtpp -85.9 109.56 18.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.472 -0.785 . . . . 73.43 109.227 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.541 ' HB ' HG22 ' A' ' 73' ' ' THR . 41.3 t -101.25 104.26 16.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.17 0.51 . . . . 63.22 109.937 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.743 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 48.6 mm -95.95 105.4 17.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.679 -0.691 . . . . 73.31 109.851 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 18.8 m -138.86 133.38 31.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.959 -0.564 . . . . 71.22 110.077 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 t -62.05 -19.97 63.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.725 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -23.83 67.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 53.44 111.201 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 75.0 m-85 -88.33 -5.03 58.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.561 0.219 . . . . 62.12 111.093 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -65.06 116.6 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 75.13 111.028 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.96 17.98 78.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.99 -0.624 . . . . 61.23 113.277 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.784 ' HE2' ' HG3' ' A' ' 52' ' ' GLU . 14.1 mmmm -89.9 142.3 27.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.055 0.427 . . . . 74.22 110.337 177.509 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.03 167.8 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.733 -0.667 . . . . 74.4 111.114 -179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -66.75 -31.11 71.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.404 . . . . 71.43 110.451 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.1 -39.47 94.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.314 0.578 . . . . 63.51 110.194 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.784 ' HG3' ' HE2' ' A' ' 48' ' ' LYS . 44.3 mm-40 -59.79 -44.9 93.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.152 -0.931 . . . . 71.2 109.87 176.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.05 -44.43 87.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.597 -0.729 . . . . 70.33 110.186 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -55.62 -51.58 66.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.649 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -56.49 -53.73 54.06 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.262 0.351 . . . . 74.14 111.12 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.2 mmm -57.07 -53.68 55.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.9 -0.591 . . . . 75.15 111.387 -175.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.557 HG23 HD13 ' A' ' 71' ' ' ILE . 71.0 mt -61.57 -45.75 98.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.467 -0.333 . . . . 62.1 111.014 -178.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -64.78 -31.67 73.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.957 -0.565 . . . . 75.23 111.308 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.749 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -84.05 -44.13 14.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.565 -0.289 . . . . 73.42 111.569 -179.538 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.55 -49.25 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 74.32 111.098 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.42 ' CD2' HD12 ' A' ' 71' ' ' ILE . 4.6 mm? -87.58 24.3 1.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.217 0.532 . . . . 70.44 110.368 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.68 101.45 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.556 -0.747 . . . . 64.21 111.404 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.03 54.04 0.47 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 109.943 -1.263 . . . . 43.43 109.943 172.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt 67.48 15.2 9.8 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.396 0.617 . . . . 63.23 110.525 -171.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 . . . . . 0 CA--C 1.515 -0.378 0 CA-C-N 115.691 -0.686 . . . . 65.22 109.721 177.703 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.0 pt . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.741 0.305 . . . . 52.42 111.796 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.6 pm0 -103.5 4.29 35.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.048 0.452 . . . . 62.22 110.848 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.557 HD13 HG23 ' A' ' 57' ' ' ILE . 11.5 tt -105.61 139.56 26.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 61.5 111.438 -175.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.477 ' OE1' ' HG2' ' A' ' 39' ' ' LYS . 45.8 tt0 -127.57 108.62 10.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.72 -0.474 . . . . 75.12 109.72 172.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.541 HG22 ' HB ' ' A' ' 40' ' ' VAL . 14.6 p -115.17 132.97 56.44 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.248 -0.433 . . . . 71.51 110.768 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.874 0 C-N-CA 120.394 -0.907 . . . . 44.31 112.589 178.454 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 109.948 -0.39 . . . . 72.04 109.948 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . 13.8 mm100 -86.87 73.87 9.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.836 -0.431 . . . . 72.35 109.836 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -66.88 -39.34 87.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.184 -0.462 . . . . 75.12 111.191 -174.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -68.43 -37.3 80.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.989 0.424 . . . . 65.43 110.3 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 8' ' ' GLN . 7.5 mp -71.91 -36.96 70.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.91 -0.586 . . . . 71.13 110.236 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.47 -50.05 75.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.353 -0.61 . . . . 74.31 109.353 174.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.79 -40.65 76.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.282 -0.872 . . . . 73.45 110.231 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.3 tp -58.84 -51.08 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.276 -0.42 . . . . 72.01 110.789 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mm -70.25 -43.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.998 -0.547 . . . . 75.31 110.894 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -65.34 -32.0 73.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.396 -0.366 . . . . 75.13 111.263 -178.303 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -80.63 -35.73 33.57 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.16 -0.337 . . . . 71.44 110.583 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -45.8 67.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.305 -0.407 . . . . 63.32 110.69 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.32 98.27 23.61 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.938 -0.574 . . . . 74.13 110.0 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.16 -10.38 27.21 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.657 2.238 . . . . 74.32 111.63 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -103.78 18.46 21.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.449 -0.796 . . . . 73.54 110.679 -178.153 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.53 139.89 49.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.499 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -98.54 147.01 25.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.188 0.518 . . . . 74.04 111.721 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 38' ' ' ILE . 3.8 mp -103.96 111.06 32.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.371 -0.831 . . . . 75.31 110.65 -177.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.436 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 17.2 m -106.5 105.52 15.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.157 -0.474 . . . . 60.33 110.079 177.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 38' ' ' ILE . 48.2 t -86.36 113.39 24.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.184 0.516 . . . . 74.44 110.886 -176.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.9 m -98.34 120.08 38.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.474 -0.784 . . . . 63.14 110.171 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p -89.44 111.91 22.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.993 0.425 . . . . 51.11 110.483 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 29' ' ' LEU . 2.9 mm? -88.28 77.84 8.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.935 -0.394 . . . . 71.35 109.935 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -81.71 90.21 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.24 0.543 . . . . 71.32 110.465 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' ASP . . . -147.26 74.86 0.28 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.476 -0.784 . . . . 63.24 111.671 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 3.8 m-20 71.22 7.92 6.26 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.232 0.613 . . . . 71.24 111.611 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' OD1' ' HB2' ' A' ' 35' ' ' HIS . 8.0 p30 -158.97 163.68 36.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.914 -0.402 . . . . 73.15 109.914 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -103.96 84.72 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.271 -0.422 . . . . 61.41 110.695 176.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.421 ' HB2' ' OD1' ' A' ' 33' ' ' ASN . 41.1 t-80 -112.09 128.85 56.32 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.523 -0.547 . . . . 54.44 109.523 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -116.92 127.39 54.2 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.768 0.318 . . . . 71.31 110.194 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.3 m -119.76 133.42 55.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.02 -0.536 . . . . 63.0 109.869 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 24' ' ' ILE . 53.4 mt -99.85 119.58 48.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.316 -0.402 . . . . 73.4 111.185 -177.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 28.7 mtpp -90.96 120.73 32.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.861 -0.608 . . . . 73.43 110.015 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.5 t -90.03 109.16 20.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.62 -0.718 . . . . 63.22 109.74 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -101.9 117.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.698 -0.683 . . . . 73.31 110.805 -176.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -161.05 144.99 13.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.731 -0.668 . . . . 71.22 109.617 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.5 m -66.21 -11.51 50.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 73.12 111.035 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -79.81 -13.03 59.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 53.44 110.566 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -95.67 -10.55 29.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.159 0.504 . . . . 62.12 110.005 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -75.98 130.99 39.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.459 -0.571 . . . . 75.13 109.459 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.12 -23.92 34.03 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.731 -0.747 . . . . 61.23 111.799 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.779 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.9 mmpt? -63.35 145.95 54.52 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.916 0.389 . . . . 74.22 110.727 173.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.4 m -80.35 156.5 26.71 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.136 -0.69 . . . . 74.4 109.136 171.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.91 -41.77 75.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.898 0.38 . . . . 71.43 110.467 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.76 -42.49 99.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.808 -0.633 . . . . 63.51 110.108 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.96 -52.7 63.24 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.88 0.372 . . . . 71.2 110.586 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.458 ' O ' HG12 ' A' ' 57' ' ' ILE . 79.9 mt-30 -59.87 -41.32 91.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.645 -0.707 . . . . 70.33 110.672 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -64.54 -40.2 95.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.329 -0.396 . . . . 75.33 111.232 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -66.58 -49.84 65.04 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.962 0.164 . . . . 74.14 111.288 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.7 ptm -62.38 -39.32 92.83 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.895 -0.322 . . . . 75.15 110.705 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 53' ' ' GLN . 34.9 mm -69.49 -43.19 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.378 . . . . 62.1 110.48 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -57.75 -37.17 73.17 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.822 -0.626 . . . . 75.23 110.66 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -79.82 -50.42 10.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.611 . . . . 73.42 111.328 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.54 -38.31 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.464 -0.335 . . . . 74.32 111.887 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.05 -2.61 38.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.798 -0.183 . . . . 70.44 111.2 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 58.18 29.69 18.31 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.369 0.604 . . . . 64.21 111.411 172.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.91 112.0 4.3 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.749 -0.738 . . . . 43.43 111.421 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 tt -100.5 114.04 27.32 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.867 -0.42 . . . . 63.23 109.867 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 t30 . . . . . 0 C--O 1.235 0.313 0 CA-C-N 115.575 -0.738 . . . . 65.22 111.312 -179.672 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 pt . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.44 0.638 . . . . 52.42 110.772 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -89.26 -28.66 19.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.57 -0.741 . . . . 62.22 110.14 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.6 tt -122.65 129.08 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.048 -0.524 . . . . 61.5 110.818 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.586 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 9.1 mm100 -124.4 148.01 47.86 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.527 -0.76 . . . . 75.12 109.201 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 p -108.91 -174.3 2.48 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.901 -0.319 . . . . 71.51 111.179 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 C-N-CA 120.674 -0.774 . . . . 44.31 111.585 176.655 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.527 HG21 HG21 ' A' ' 26' ' ' VAL . 14.6 t . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.49 -0.559 . . . . 72.04 109.49 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.532 ' HG3' ' H ' ' A' ' 11' ' ' LEU . 6.1 tp-100 -64.01 112.28 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.959 -0.386 . . . . 72.35 109.959 176.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -57.06 -34.42 68.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.748 -0.66 . . . . 75.12 111.387 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.63 -37.35 84.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 65.43 110.571 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.532 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 3.0 tt -70.84 -42.0 70.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.382 -0.599 . . . . 71.13 109.382 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -58.22 -48.61 79.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.693 -0.685 . . . . 74.31 109.649 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.07 -38.25 82.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.435 -0.802 . . . . 73.45 110.915 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.99 -47.66 83.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.481 . . . . 72.01 109.882 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.73 -39.97 87.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.575 -0.284 . . . . 75.31 110.545 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.49 -35.59 78.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.337 . . . . 75.13 111.197 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -76.46 -33.52 58.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.801 0.334 . . . . 71.44 110.949 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.0 -48.42 53.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.054 0.454 . . . . 63.32 110.16 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -135.34 97.2 13.36 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.898 -0.592 . . . . 74.13 109.538 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.91 -20.42 51.42 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.642 2.228 . . . . 74.32 112.912 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.86 15.63 27.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.937 0.398 . . . . 73.54 110.759 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -95.79 129.4 43.03 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.103 -0.499 . . . . 74.4 109.998 175.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -88.86 126.67 35.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.996 -0.547 . . . . 74.04 109.718 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.17 110.97 21.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.794 -0.639 . . . . 75.31 110.39 -177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.46 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 8.0 m -113.23 105.41 13.39 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.734 -0.386 . . . . 60.33 110.423 174.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 7' ' ' THR . 52.3 t -98.06 106.73 19.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.04 0.448 . . . . 74.44 109.902 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -110.18 147.74 33.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.879 -0.6 . . . . 63.14 110.571 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -96.44 137.67 35.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.903 -0.59 . . . . 51.11 109.689 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 32' ' ' ASP . 8.6 mp -68.29 138.59 55.6 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.985 -0.376 . . . . 71.35 109.985 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -63.36 91.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.593 0.711 . . . . 71.32 111.486 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.24 -11.7 10.61 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.844 -0.616 . . . . 63.24 112.103 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.544 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -121.03 103.43 9.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.721 0.296 . . . . 71.24 110.709 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -86.29 -14.17 44.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.035 0.445 . . . . 73.15 110.351 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -88.7 -45.94 9.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.897 -0.592 . . . . 61.41 110.229 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -85.05 126.26 33.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.095 -0.502 . . . . 54.44 110.566 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -118.22 152.92 34.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.825 -0.435 . . . . 71.31 109.825 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.8 m -119.98 129.42 54.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.686 -0.487 . . . . 63.0 109.686 175.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.32 102.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.6 0.714 . . . . 73.4 109.957 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 27.8 ttpp -89.43 109.89 20.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.094 -0.957 . . . . 73.43 110.083 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' A' ' 22' ' ' ALA . 97.2 t -96.92 125.43 49.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.619 -0.718 . . . . 63.22 110.639 -177.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.9 mt -111.52 131.48 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.811 0.338 . . . . 73.31 110.898 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 35.2 t -162.78 148.38 12.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.701 -0.681 . . . . 71.22 109.393 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -56.83 -32.7 66.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 73.12 111.157 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -67.91 -14.52 63.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.538 -0.301 . . . . 53.44 111.402 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CD2' ' HB3' ' A' ' 42' ' ' SER . 58.4 m-85 -96.81 -7.17 34.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 62.12 110.758 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -87.49 131.82 34.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 75.13 110.366 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.96 -22.83 38.81 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.124 -0.56 . . . . 61.23 111.928 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -79.03 148.68 32.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.616 0.246 . . . . 74.22 110.447 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.2 m -87.18 158.75 19.07 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.1 -0.704 . . . . 74.4 109.1 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -52.24 -37.74 56.12 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.38 0.511 . . . . 71.43 112.38 -176.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -49.77 76.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.857 -0.423 . . . . 63.51 109.857 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -57.12 -45.76 83.2 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.885 -0.598 . . . . 71.2 110.123 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' O ' HG12 ' A' ' 57' ' ' ILE . 24.2 mm-40 -54.75 -47.5 73.78 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.119 -0.946 . . . . 70.33 110.637 177.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -63.86 -36.89 85.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.665 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 87.2 mtt180 -62.59 -54.85 33.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.731 0.3 . . . . 74.14 111.089 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.2 ptm -68.46 -33.86 74.94 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.581 -0.448 . . . . 75.15 110.837 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.448 ' HA ' HG12 ' A' ' 60' ' ' VAL . 27.5 mm -66.87 -41.44 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.778 0.323 . . . . 62.1 110.341 175.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -66.73 -31.83 72.74 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.995 -0.282 . . . . 75.23 110.874 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 55' ' ' ARG . 30.1 mmmt -80.06 -27.37 39.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.452 -0.499 . . . . 73.42 111.666 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 57' ' ' ILE . 9.3 p -81.03 -23.56 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.368 0.604 . . . . 74.32 110.2 173.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.1 33.72 3.97 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.992 -0.744 . . . . 70.44 108.992 174.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -68.44 130.49 43.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.145 -0.934 . . . . 64.21 112.125 -171.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.65 -25.92 4.96 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.764 -0.653 . . . . 43.43 112.3 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.5 mt -100.94 -163.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.607 0.241 . . . . 63.23 110.708 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 65.22 110.636 177.401 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.8 tt . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 121.217 0.532 . . . . 52.42 110.497 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.47 -23.41 61.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.878 -0.601 . . . . 62.22 110.218 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.0 tt -136.41 134.68 49.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.34 -0.845 . . . . 61.5 109.111 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.571 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -140.59 163.35 33.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.771 -0.455 . . . . 75.12 109.771 -173.497 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 40' ' ' VAL . 14.5 p -135.07 149.53 50.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.857 0.361 . . . . 71.51 111.18 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.962 -0.637 . . . . 44.31 112.132 179.653 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.46 ' O ' ' HB3' ' A' ' 8' ' ' GLN . 2.9 m . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 109.604 -0.517 . . . . 72.04 109.604 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.46 ' HB3' ' O ' ' A' ' 7' ' ' THR . 35.0 tt0 75.83 1.64 3.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.088 0.47 . . . . 72.35 111.234 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -64.74 -40.09 94.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.494 -0.321 . . . . 75.12 110.523 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -66.3 -38.68 88.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.395 -0.366 . . . . 65.43 110.293 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.526 HD11 HG21 ' A' ' 38' ' ' ILE . 3.4 tm? -61.36 -49.45 76.89 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.139 -0.482 . . . . 71.13 109.784 176.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -58.88 -45.5 90.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.617 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -56.59 -47.99 78.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.02 -0.536 . . . . 73.45 110.172 176.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.17 -50.98 71.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.924 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -63.66 -43.08 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 75.31 111.097 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -29.22 63.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.823 0.344 . . . . 75.13 110.741 -177.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.85 -28.44 44.25 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.832 -0.347 . . . . 71.44 110.186 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.33 -46.53 22.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.303 -0.408 . . . . 63.32 110.747 175.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' HZ ' HG11 ' A' ' 60' ' ' VAL . 54.1 m-85 -114.62 98.42 49.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 74.13 110.249 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -76.23 -10.83 19.34 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 122.549 2.166 . . . . 74.32 113.41 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.65 30.56 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.105 0.478 . . . . 73.54 110.453 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -113.27 139.28 48.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.102 -0.499 . . . . 74.4 112.175 -176.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -100.66 120.01 39.43 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.389 -0.967 . . . . 74.04 108.389 167.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 mt -88.73 110.49 21.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.082 -0.508 . . . . 75.31 110.883 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 33.1 m -109.67 105.58 14.9 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.71 -0.478 . . . . 60.33 109.71 176.29 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.5 m -86.87 128.24 39.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.237 0.541 . . . . 74.44 110.596 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.795 HG23 ' HB2' ' A' ' 37' ' ' SER . 2.0 t -111.22 119.31 38.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.525 0.679 . . . . 63.14 110.334 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.5 m -94.27 127.29 40.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.067 -0.97 . . . . 51.11 110.411 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mp -88.31 152.65 21.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.187 -0.46 . . . . 71.35 109.964 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.75 132.98 19.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.156 0.503 . . . . 71.32 111.209 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 33' ' ' ASN . . . 120.53 -50.62 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.88 -0.676 . . . . 63.24 112.259 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 69.99 -18.31 0.23 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.344 0.657 . . . . 71.24 112.496 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 31' ' ' GLY . 26.9 t-20 -68.14 -31.03 70.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.146 0.498 . . . . 73.15 110.055 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -82.32 -177.99 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.493 -0.776 . . . . 61.41 109.844 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -86.44 172.33 10.45 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 121.003 -0.279 . . . . 54.44 110.508 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -103.85 163.45 12.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.277 -0.42 . . . . 71.31 110.094 -176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.795 ' HB2' HG23 ' A' ' 27' ' ' THR . 35.8 m -108.94 145.16 35.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.882 0.372 . . . . 63.0 110.24 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.526 HG21 HD11 ' A' ' 11' ' ' LEU . 20.2 pt -107.46 114.15 45.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.344 0.592 . . . . 73.4 111.069 -177.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 54.7 tttm -97.38 108.36 21.07 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.649 -0.871 . . . . 73.43 108.649 175.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' HB ' HG22 ' A' ' 73' ' ' THR . 54.0 t -105.36 116.52 49.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.953 -0.567 . . . . 63.22 110.659 -174.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 45.3 mm -94.73 108.41 20.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.998 -0.546 . . . . 73.31 110.242 178.394 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.485 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 15.0 m -137.63 145.61 42.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.078 -0.51 . . . . 71.22 109.923 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -59.52 -25.48 64.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.334 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -76.28 -13.15 60.17 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.342 -0.39 . . . . 53.44 111.563 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 53.5 m-85 -103.84 -6.66 21.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 62.12 111.475 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -71.48 116.51 11.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.088 0.47 . . . . 75.13 111.041 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.62 18.22 66.52 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.662 -0.699 . . . . 61.23 112.793 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -95.88 139.63 31.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.04 0.447 . . . . 74.22 111.404 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.4 m -83.55 172.68 12.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.541 -0.754 . . . . 74.4 109.974 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -64.5 -31.98 73.42 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 112.146 0.425 . . . . 71.43 112.146 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.02 -47.27 85.5 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.248 -0.649 . . . . 63.51 109.248 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.43 -42.08 99.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.189 -0.914 . . . . 71.2 110.019 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' O ' HG12 ' A' ' 57' ' ' ILE . 82.3 mm-40 -58.11 -45.82 86.62 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.919 -0.582 . . . . 70.33 110.444 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -54.66 -52.33 62.68 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.423 -0.353 . . . . 75.33 110.398 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -54.67 -54.42 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 74.14 110.944 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.8 mmm -61.34 -53.55 55.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.658 -0.701 . . . . 75.15 111.38 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 53' ' ' GLN . 33.7 mm -61.45 -48.79 87.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.559 -0.291 . . . . 62.1 111.231 -176.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -68.29 -32.15 72.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.605 -0.438 . . . . 75.23 111.628 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 25.5 mmtm -80.73 -32.01 35.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.473 0.545 . . . . 73.42 112.473 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.554 HG11 ' HZ ' ' A' ' 19' ' ' PHE . 9.9 p -81.06 -31.07 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.646 -0.421 . . . . 74.32 110.871 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -86.33 -13.26 47.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.137 -0.32 . . . . 70.44 110.137 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 73.28 -56.32 0.66 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.163 0.915 . . . . 64.21 112.02 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -91.67 112.66 4.21 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 115.192 -0.913 . . . . 43.43 112.224 -176.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.776 HD23 ' H ' ' A' ' 64' ' ' LEU . 2.2 pt? -77.54 2.96 14.78 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.919 0.39 . . . . 63.23 110.689 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 65.22 111.034 178.276 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.49 ' O ' HG12 ' A' ' 69' ' ' ILE . 11.3 tt . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 121.514 0.673 . . . . 52.42 112.515 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -129.07 16.75 6.18 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.626 -0.671 . . . . 62.22 110.899 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 tp -97.28 125.23 50.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.095 -0.502 . . . . 61.5 109.824 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 41.5 mt-30 -123.29 108.19 12.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.088 0.471 . . . . 75.12 109.733 173.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.472 HG22 ' HB ' ' A' ' 40' ' ' VAL . 1.6 p -135.47 141.07 45.3 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.85 -0.614 . . . . 71.51 110.583 -176.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.797 0 C-N-CA 120.121 -1.037 . . . . 44.31 112.961 177.548 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 110.225 -0.287 . . . . 72.04 110.225 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.33 111.4 23.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.757 -0.46 . . . . 72.35 109.757 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -52.06 -52.34 51.75 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.411 -0.813 . . . . 75.12 112.005 -173.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.03 -50.22 74.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.734 0.302 . . . . 65.43 111.732 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.75 -45.97 84.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.929 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HG3' HG21 ' A' ' 24' ' ' ILE . 21.8 tt0 -67.0 -44.01 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.828 0.346 . . . . 74.31 110.24 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.51 -38.65 72.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.568 . . . . 73.45 110.383 177.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.25 -49.29 78.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 72.01 110.176 178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.7 mt -66.89 -38.93 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.008 -0.542 . . . . 75.31 110.745 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 16' ' ' ARG . 10.0 mmm180 -62.64 -36.6 83.35 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.883 0.373 . . . . 75.13 111.408 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -75.59 -41.26 55.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 71.44 110.953 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.89 -52.57 23.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 63.32 111.187 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -137.45 93.1 12.94 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 74.13 109.753 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.26 -26.94 71.91 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.463 2.109 . . . . 74.32 111.898 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.96 11.97 32.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.709 -0.678 . . . . 73.54 111.368 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.23 143.08 29.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.499 -0.319 . . . . 74.4 110.722 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.738 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 40.5 tt0 -81.35 110.58 16.93 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.955 -0.387 . . . . 74.04 109.955 177.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.427 HG21 ' HG3' ' A' ' 12' ' ' GLU . 53.8 mt -101.04 110.88 29.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.097 -0.502 . . . . 75.31 109.956 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.8 m -123.41 112.8 17.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.102 0.477 . . . . 60.33 110.569 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 m -83.18 114.33 23.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.204 0.526 . . . . 74.44 110.06 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.802 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 21.0 m -93.84 105.59 17.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.031 -0.531 . . . . 63.14 109.942 -177.332 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -91.63 101.09 13.71 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.429 -0.805 . . . . 51.11 110.402 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 29' ' ' LEU . 2.7 pt? -137.7 142.13 41.06 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.939 -0.763 . . . . 71.35 108.939 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -167.73 114.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.516 0.674 . . . . 71.32 111.608 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.39 -53.24 0.46 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 109.526 -1.43 . . . . 63.24 109.526 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -95.14 149.12 21.64 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.103 -1.073 . . . . 71.24 108.103 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -64.07 101.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.111 0.482 . . . . 73.15 111.728 -174.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -145.31 -169.43 3.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.818 -0.808 . . . . 61.41 108.818 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -89.82 -176.67 5.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.274 -0.269 . . . . 54.44 110.274 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -103.52 168.17 9.33 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.135 -0.321 . . . . 71.31 110.135 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.802 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 8.2 t -101.39 130.05 47.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.022 0.439 . . . . 63.0 110.945 -173.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.1 mt -100.07 104.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.067 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.671 ' HD3' HG12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -93.7 112.89 24.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.694 -0.484 . . . . 73.43 109.694 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -118.85 113.26 41.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.065 -0.516 . . . . 63.22 110.55 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.738 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 44.3 mm -100.16 111.55 30.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.16 0.505 . . . . 73.31 110.07 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -143.29 126.55 16.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.542 -0.754 . . . . 71.22 109.55 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 m -65.28 -9.55 25.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.087 0.47 . . . . 73.12 111.55 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -88.37 -1.42 58.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.24 -0.436 . . . . 53.44 111.577 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.82 -11.28 59.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.237 0.541 . . . . 62.12 110.023 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -98.77 143.75 28.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.416 -0.811 . . . . 75.13 109.573 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.71 -6.23 60.5 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.617 -0.801 . . . . 61.23 112.169 -177.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -101.39 141.71 33.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.713 -0.477 . . . . 74.22 109.713 173.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -60.75 157.69 14.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.898 -0.592 . . . . 74.4 111.329 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 14.0 ttmm -54.39 -45.05 72.8 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.853 -0.612 . . . . 71.43 110.26 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.53 -42.72 97.08 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.723 -0.671 . . . . 63.51 111.317 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -66.15 -38.46 88.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.135 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -60.97 -47.55 85.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 70.33 109.928 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' HIS . . . . . 0.408 ' CE1' ' HG2' ' A' ' 50' ' ' LYS . 38.4 m80 -63.47 -33.81 76.39 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.282 -0.417 . . . . 75.33 110.383 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -50.25 69.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.776 -0.647 . . . . 74.14 110.716 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.8 ptm -70.23 -33.6 71.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.505 -0.316 . . . . 75.15 110.889 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.87 -43.25 98.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.203 0.525 . . . . 62.1 109.741 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -61.39 -36.67 80.93 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.678 -0.692 . . . . 75.23 110.984 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -68.71 -46.57 68.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.348 0.499 . . . . 73.42 112.348 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG13 ' HG ' ' A' ' 61' ' ' LEU . 11.1 p -74.85 -36.3 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 112.179 0.437 . . . . 74.32 112.179 -173.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.653 HD11 ' HB ' ' A' ' 71' ' ' ILE . 70.1 mt -106.19 -19.53 13.68 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.324 0.49 . . . . 70.44 112.324 -176.241 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 55.45 74.64 0.36 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.569 0.699 . . . . 64.21 109.511 -170.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.03 92.49 0.31 Allowed Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.378 -0.915 . . . . 43.43 113.228 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.7 mt -82.64 -2.79 54.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.671 0.748 . . . . 63.23 109.222 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 114.776 -1.102 . . . . 65.22 108.783 174.175 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.827 0.346 . . . . 52.42 110.337 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -79.29 -14.47 59.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.381 0.61 . . . . 62.22 110.254 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.653 ' HB ' HD11 ' A' ' 61' ' ' LEU . 8.0 tp -127.69 134.1 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.792 -0.64 . . . . 61.5 109.922 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . 6.2 tp-100 -127.86 108.56 10.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.215 0.531 . . . . 75.12 110.299 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 p -141.9 119.93 12.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.495 -0.775 . . . . 71.51 109.979 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.573 0 C-N-CA 120.746 -0.74 . . . . 44.31 111.85 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo . . . . . 0 N--CA 1.479 0.655 0 N-CA-C 110.776 -0.509 . . . . 72.44 110.776 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.54 -110.27 4.0 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.998 -0.62 . . . . 35.53 112.095 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 m -78.16 95.08 4.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.849 0.356 . . . . 54.01 110.722 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.49 ' HA ' ' CE ' ' A' ' 4' ' ' MET . 19.0 mmt -73.0 -33.33 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.289 -0.634 . . . . 73.21 109.289 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.6 m -94.12 109.71 21.47 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.528 -0.916 . . . . 71.41 108.528 170.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.425 HG23 ' HB3' ' A' ' 9' ' ' SER . 28.4 m -87.29 141.5 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.147 0.499 . . . . 75.41 111.722 -172.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -83.42 158.67 22.0 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.88 -0.785 . . . . 72.04 108.88 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 59.07 28.18 17.37 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.416 0.627 . . . . 72.35 109.749 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.425 ' HB3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -59.68 -38.99 83.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.027 -0.988 . . . . 75.12 111.648 -176.557 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -65.48 -35.21 80.2 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.126 -0.23 . . . . 65.43 110.57 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 38' ' ' ILE . 3.4 mm? -67.41 -48.81 66.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.367 . . . . 71.13 110.227 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.522 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -59.06 -54.35 48.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.607 -0.724 . . . . 74.31 109.627 178.037 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.08 -43.2 99.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.331 -0.849 . . . . 73.45 111.979 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.83 -50.83 71.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.625 0.25 . . . . 72.01 111.173 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.405 HD12 HD11 ' A' ' 38' ' ' ILE . 56.5 mt -72.29 -35.5 52.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.427 -0.351 . . . . 75.31 110.711 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -63.86 -38.15 90.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.021 0.438 . . . . 75.13 110.812 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -83.6 -32.65 25.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.435 . . . . 71.44 111.329 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.91 -47.18 66.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 63.32 110.316 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -124.9 101.88 32.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.546 -0.538 . . . . 74.13 109.546 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -62.09 -26.27 78.04 Favored 'Trans proline' 0 CA--C 1.526 0.08 0 C-N-CA 122.791 2.327 . . . . 74.32 112.321 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -96.57 15.98 20.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 73.54 110.951 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.63 131.81 46.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.379 . . . . 74.4 111.09 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.597 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 10.1 tp10 -97.96 114.87 27.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.762 -0.653 . . . . 74.04 109.491 175.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' A' ' 12' ' ' GLU . 3.4 mp -88.29 111.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.058 0.456 . . . . 75.31 109.889 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.494 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 32.1 m -110.34 124.18 51.21 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.748 -0.464 . . . . 60.33 109.748 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 m -83.12 120.74 34.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.162 0.505 . . . . 74.44 110.268 177.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 19.2 m -93.46 105.18 17.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.252 0.548 . . . . 63.14 109.733 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.9 p -108.57 117.9 35.39 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.596 -0.729 . . . . 51.11 110.976 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.15 135.94 44.74 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.435 -0.95 . . . . 71.35 108.435 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.28 87.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.219 0.533 . . . . 71.32 110.688 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.68 118.25 0.9 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.19 -0.914 . . . . 63.24 111.262 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.9 76.21 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.265 0.555 . . . . 71.24 111.441 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.55 -43.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.296 -0.865 . . . . 73.15 109.412 175.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -89.6 157.51 18.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.371 -0.832 . . . . 61.41 110.757 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -75.31 154.86 37.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 54.44 109.967 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -103.76 134.95 46.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.272 -0.422 . . . . 71.31 110.237 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.568 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 12.7 m -91.66 165.5 13.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.84 -0.618 . . . . 63.0 110.714 -172.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.405 HD11 HD12 ' A' ' 15' ' ' ILE . 17.5 tt -118.23 126.73 75.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.623 -0.51 . . . . 73.4 109.623 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 76.5 tttt -108.45 116.99 33.01 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.957 -0.565 . . . . 73.43 110.149 -175.084 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.08 104.98 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.092 -0.503 . . . . 63.22 110.737 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.597 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 45.0 mm -98.25 96.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.487 -0.56 . . . . 73.31 109.487 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.4 t -140.08 134.74 31.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.114 0.483 . . . . 71.22 111.06 -176.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 p -63.07 -18.71 63.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.546 -0.752 . . . . 73.12 111.408 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.38 -23.08 67.16 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.849 0.357 . . . . 53.44 110.727 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -101.35 -4.14 27.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 62.12 111.099 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.435 HE21 ' HB2' ' A' ' 46' ' ' GLN . 6.4 tt0 -84.81 136.57 33.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.07 0.462 . . . . 75.13 110.521 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.09 -28.18 15.81 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.8 -0.92 . . . . 61.23 110.8 -174.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.778 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.2 mmpt? -72.55 139.35 47.46 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.466 -0.367 . . . . 74.22 110.507 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.9 m -74.9 166.7 23.21 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.442 -0.577 . . . . 74.4 109.442 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HG3' HD22 ' A' ' 51' ' ' LEU . 17.9 ptpt -56.59 -35.37 68.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.944 -0.302 . . . . 71.43 111.379 -177.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.581 ' H ' HD22 ' A' ' 51' ' ' LEU . 2.3 mm? -64.25 -45.17 89.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 63.51 109.989 -178.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 46.3 mt-10 -61.67 -45.61 93.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.61 -0.723 . . . . 71.2 110.098 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 57' ' ' ILE . 89.0 mt-30 -61.69 -43.5 98.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 70.33 110.849 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -58.8 -46.43 87.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.666 0.27 . . . . 75.33 110.385 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -60.34 -41.53 93.8 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.341 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 93.3 mmm -66.61 -34.49 78.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 120.709 -0.397 . . . . 75.15 110.359 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 53' ' ' GLN . 73.7 mt -62.42 -42.62 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.594 -0.521 . . . . 62.1 109.594 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -61.68 -31.79 71.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.064 -0.517 . . . . 75.23 111.062 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HB3' ' NZ ' ' A' ' 59' ' ' LYS . 3.6 mmmp? -65.47 -57.16 8.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.76 0.314 . . . . 73.42 110.871 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.443 HG13 ' CD2' ' A' ' 61' ' ' LEU . 6.6 p -69.9 -38.68 76.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 116.412 -0.358 . . . . 74.32 111.649 -175.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' CD2' HG13 ' A' ' 60' ' ' VAL . 3.8 mm? -101.65 37.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.593 0.235 . . . . 70.44 110.97 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.46 -14.17 38.18 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.306 0.484 . . . . 64.21 112.306 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.92 -16.29 76.45 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.942 -0.647 . . . . 43.43 112.792 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -137.19 147.45 45.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 63.23 110.509 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -79.12 94.48 5.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.142 0.496 . . . . 65.22 110.029 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.9 mm -72.59 97.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 65.41 111.534 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -123.74 20.08 9.37 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.359 -0.608 . . . . 73.33 109.359 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.56 149.38 50.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.373 -0.83 . . . . 64.03 110.067 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.75 100.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.167 0.508 . . . . 52.42 110.71 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -129.67 -41.53 1.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.675 -0.693 . . . . 62.22 109.792 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 tt -113.44 121.51 65.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.511 -0.768 . . . . 61.5 110.274 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 68.8 mt-30 -111.55 125.73 54.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 75.12 110.295 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 m -100.06 162.58 12.89 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.837 -0.62 . . . . 71.51 110.204 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.0 85.93 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.055 -0.593 . . . . 44.31 112.436 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.87 118.64 22.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.645 -0.502 . . . . 54.21 109.645 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.947 -0.549 . . . . 72.44 110.397 -177.295 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo . . . . . 0 N--CA 1.479 0.644 0 N-CA-C 110.332 -0.68 . . . . 72.44 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.85 103.97 0.22 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.562 -0.828 . . . . 35.53 112.43 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -80.39 -32.28 37.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.324 0.583 . . . . 54.01 109.759 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.8 mtt -105.91 108.64 20.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.369 -0.832 . . . . 73.21 110.247 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 m -85.96 109.78 19.0 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.097 0.475 . . . . 71.41 110.918 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -124.27 155.37 31.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 75.41 109.439 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 p -93.86 159.17 15.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.691 -0.231 . . . . 72.04 111.446 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.465 ' HA ' HE22 ' A' ' 10' ' ' GLN . 95.0 mt-30 67.3 23.17 9.38 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.764 -0.653 . . . . 72.35 111.932 174.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -66.1 -32.2 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.99 0.424 . . . . 75.12 110.281 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.465 HE22 ' HA ' ' A' ' 8' ' ' GLN . 5.4 pm0 -72.5 -27.22 62.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.129 -0.487 . . . . 65.43 110.007 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -71.67 -46.19 59.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.967 -0.753 . . . . 71.13 108.967 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' OE2' ' HD3' ' A' ' 16' ' ' ARG . 3.1 tm-20 -57.9 -53.77 54.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.448 -0.796 . . . . 74.31 109.356 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.85 -40.86 76.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.509 -0.769 . . . . 73.45 111.221 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.1 tp -56.86 -50.9 71.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.612 -0.267 . . . . 72.01 110.823 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.726 HG22 HG12 ' A' ' 24' ' ' ILE . 42.6 mm -70.95 -37.88 69.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.871 0.367 . . . . 75.31 110.336 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HD2' HD13 ' A' ' 24' ' ' ILE . 1.2 tpt180 -64.53 -35.55 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 75.13 111.057 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -83.79 -33.62 24.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.01 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -43.02 71.94 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.374 -0.376 . . . . 63.32 110.548 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -127.81 80.45 72.01 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 74.13 110.339 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.41 -10.86 19.03 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.359 2.039 . . . . 74.32 111.86 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -99.63 30.49 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.603 -0.726 . . . . 73.54 109.508 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 42' ' ' SER . . . -137.61 155.96 48.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.757 -0.656 . . . . 74.4 111.145 -177.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 1.1 mm-40 -94.5 99.01 11.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.885 -0.598 . . . . 74.04 109.741 172.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.726 HG12 HG22 ' A' ' 15' ' ' ILE . 3.5 mp -88.15 117.45 31.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.752 -0.658 . . . . 75.31 110.424 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 24.9 m -117.73 121.54 41.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 60.33 109.956 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.9 107.6 21.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.392 . . . . 74.44 110.419 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 17.0 m -101.83 138.36 38.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.053 -0.522 . . . . 63.14 110.652 -178.011 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -93.83 123.47 37.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.284 -0.265 . . . . 51.11 110.284 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 8.7 mp -113.18 116.38 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.955 0.407 . . . . 71.35 111.051 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -101.13 97.4 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.351 0.596 . . . . 71.32 110.409 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.44 -148.04 4.99 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.736 -0.745 . . . . 63.24 111.794 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.18 -51.92 67.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.963 0.411 . . . . 71.24 110.767 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -117.35 131.1 56.85 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.967 -0.753 . . . . 73.15 108.967 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -83.22 97.83 9.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.603 0.716 . . . . 61.41 111.123 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 4.1 m-70 -127.58 155.45 43.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.261 -0.881 . . . . 54.44 109.564 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -103.87 140.63 37.4 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.534 -0.543 . . . . 71.31 109.534 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.731 ' HA ' ' HG3' ' A' ' 70' ' ' GLN . 16.8 t -89.26 124.01 34.0 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.937 -0.394 . . . . 63.0 109.937 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.71 99.58 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.109 -0.7 . . . . 73.4 109.109 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 51.9 mtpt -95.46 111.83 23.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.052 -0.522 . . . . 73.43 109.642 -178.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.1 t -113.56 104.31 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.99 -0.55 . . . . 63.22 110.176 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.915 HD12 ' HB2' ' A' ' 75' ' ' CYS . 40.4 mm -95.84 111.55 26.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.02 -0.536 . . . . 73.31 110.304 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.475 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . 32.5 t -158.56 142.57 15.52 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.383 -0.371 . . . . 71.22 110.757 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.506 ' HA ' ' HB3' ' A' ' 46' ' ' GLN . 49.6 m -68.81 -5.84 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 73.12 111.37 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -75.79 -18.16 59.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 53.44 110.296 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -104.9 -10.63 17.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.616 0.722 . . . . 62.12 109.579 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 62.6 tt0 -83.62 124.36 30.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.087 -0.96 . . . . 75.13 109.785 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.98 -23.49 35.81 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.653 -0.784 . . . . 61.23 111.439 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -76.4 144.79 39.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.093 -0.336 . . . . 74.22 110.093 175.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 t -70.12 155.92 39.93 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.872 -0.418 . . . . 74.4 109.872 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -52.56 -47.09 67.01 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.45 -0.341 . . . . 71.43 111.176 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.58 -43.27 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.184 -0.462 . . . . 63.51 110.537 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.09 -50.21 73.48 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.97 0.414 . . . . 71.2 110.479 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 57' ' ' ILE . 73.3 mt-30 -57.61 -47.65 81.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.389 -0.823 . . . . 70.33 110.705 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.412 ' HA ' HD12 ' A' ' 57' ' ' ILE . 29.7 m170 -65.8 -37.73 87.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 75.33 110.791 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 55' ' ' ARG . 47.1 mtp180 -58.58 -49.39 77.64 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.332 -0.395 . . . . 74.14 110.567 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 75.2 mtm -61.49 -42.27 98.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 75.15 111.018 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.688 HD13 HG21 ' A' ' 71' ' ' ILE . 37.4 mt -62.52 -46.38 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.198 0.523 . . . . 62.1 110.216 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -63.19 -31.88 73.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 75.23 111.099 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -81.04 -43.27 19.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.533 -0.303 . . . . 73.42 111.711 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 57' ' ' ILE . 9.8 p -70.43 -32.97 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.973 0.416 . . . . 74.32 110.909 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -86.83 -16.68 35.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.369 . . . . 70.44 110.511 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.97 22.9 13.07 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.724 -0.671 . . . . 64.21 111.751 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.59 -128.31 3.45 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.958 -0.639 . . . . 43.43 111.724 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp 66.94 11.07 8.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.988 0.515 . . . . 63.23 111.238 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -103.19 101.15 11.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.965 0.412 . . . . 65.22 110.387 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.7 mt -81.51 -37.25 15.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.833 -0.803 . . . . 65.41 108.833 173.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -166.92 -54.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.516 -1.22 . . . . 73.33 108.386 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -118.66 147.86 43.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.005 -0.998 . . . . 64.03 109.674 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' A' ' 71' ' ' ILE . 31.7 mt -98.78 -30.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.764 0.316 . . . . 52.42 110.199 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.731 ' HG3' ' HA ' ' A' ' 37' ' ' SER . 5.8 tp-100 70.18 27.6 4.16 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.939 0.876 . . . . 62.22 109.987 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.688 HG21 HD13 ' A' ' 57' ' ' ILE . 17.1 tt -98.64 132.27 44.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.123 -0.944 . . . . 61.5 110.328 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -110.86 108.54 18.38 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.11 -0.7 . . . . 75.12 109.11 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 71' ' ' ILE . 3.3 p -106.67 120.13 41.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.189 0.519 . . . . 71.51 111.935 -176.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.2 151.33 26.54 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.841 -0.695 . . . . 44.31 112.906 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.915 ' HB2' HD12 ' A' ' 41' ' ' ILE . 53.3 t -133.99 133.24 41.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.621 -0.511 . . . . 54.21 109.621 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.665 -0.684 . . . . 72.44 109.635 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.479 0.668 0 N-CA-C 110.902 -0.461 . . . . 72.44 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.75 -54.3 7.48 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.99 -0.624 . . . . 35.53 111.743 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -102.95 -173.2 2.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.616 -0.513 . . . . 54.01 109.616 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -79.63 76.3 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.021 0.439 . . . . 73.21 110.661 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.7 p -76.08 109.82 10.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.096 -0.502 . . . . 71.41 110.316 177.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.44 177.33 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.987 -0.552 . . . . 75.41 110.497 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.472 ' HB ' HG13 ' A' ' 26' ' ' VAL . 10.4 t -112.77 167.79 10.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.405 -0.591 . . . . 72.04 109.405 176.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -61.57 124.73 21.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.056 0.455 . . . . 72.35 110.095 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 p -52.01 -43.22 63.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.062 -0.972 . . . . 75.12 111.886 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.47 -46.69 81.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 65.43 111.5 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 38' ' ' ILE . 88.5 mt -62.33 -46.35 89.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 71.13 110.824 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.01 -54.05 46.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.817 -0.629 . . . . 74.31 110.156 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -42.91 82.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.592 -0.731 . . . . 73.45 111.135 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.72 -50.81 69.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.092 -0.504 . . . . 72.01 110.726 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.1 mm -66.84 -39.05 82.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.138 -0.483 . . . . 75.31 111.0 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -67.39 -39.27 85.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.642 -0.254 . . . . 75.13 111.481 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -78.85 -39.19 36.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.676 -0.238 . . . . 71.44 111.47 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.04 -37.69 69.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 63.32 110.779 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.4 84.31 63.59 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 74.13 110.823 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.09 -19.79 44.81 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.393 2.062 . . . . 74.32 111.176 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -93.38 12.19 25.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.197 -0.91 . . . . 73.54 110.678 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.85 148.38 32.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 74.4 111.24 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 8.7 tp10 -97.03 114.82 26.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.654 -0.703 . . . . 74.04 109.748 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.7 mt -93.48 110.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.801 0.334 . . . . 75.31 110.119 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 8.7 m -104.0 120.72 41.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.288 -0.414 . . . . 60.33 109.948 176.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.472 HG13 ' HB ' ' A' ' 7' ' ' THR . 59.7 t -82.98 115.67 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.047 0.451 . . . . 74.44 110.223 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.675 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 21.5 m -107.9 120.02 41.1 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.859 -0.61 . . . . 63.14 110.223 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -78.24 103.76 8.39 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.427 -0.806 . . . . 51.11 109.863 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.0 tp -66.27 111.43 3.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.32 -0.854 . . . . 71.35 110.231 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.92 129.33 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.856 -0.611 . . . . 71.32 110.483 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.64 -11.66 4.29 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.865 -0.894 . . . . 63.24 110.865 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 61.57 90.15 0.07 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.289 0.636 . . . . 71.24 111.163 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -159.62 150.68 19.59 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.826 -0.805 . . . . 73.15 108.826 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -64.3 -16.76 62.77 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.352 0.596 . . . . 61.41 110.538 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -85.1 103.18 13.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.493 -0.558 . . . . 54.44 109.493 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -109.78 174.33 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.578 -0.283 . . . . 71.31 110.429 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.675 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 19.9 m -103.33 120.97 41.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.966 0.412 . . . . 63.0 110.959 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 70' ' ' GLN . 26.7 pt -101.18 117.59 46.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.254 0.549 . . . . 73.4 110.289 173.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 53.4 mtmt -89.37 108.73 19.8 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.713 -0.477 . . . . 73.43 109.713 176.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -95.24 104.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.216 -0.902 . . . . 63.22 109.96 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.603 HG12 ' HA3' ' A' ' 74' ' ' GLY . 42.4 mt -102.8 136.0 37.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.949 -0.569 . . . . 73.31 110.185 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.5 t -162.29 147.67 12.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.827 -0.624 . . . . 71.22 110.301 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 p -63.14 -19.03 64.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.852 -0.613 . . . . 73.12 110.992 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.79 -16.77 62.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.334 -0.394 . . . . 53.44 110.968 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -96.79 7.0 47.59 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.095 0.474 . . . . 62.12 110.423 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.648 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 35.9 tt0 -85.26 131.94 34.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.999 -0.546 . . . . 75.13 109.837 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.54 -2.77 76.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.976 -0.63 . . . . 61.23 112.793 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -90.79 152.83 20.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.866 0.365 . . . . 74.22 110.547 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 p -82.58 144.49 30.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.852 -0.613 . . . . 74.4 110.567 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -58.09 -34.49 70.21 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.265 -0.425 . . . . 71.43 111.632 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.3 mt -55.36 -53.84 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.51 110.792 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.06 -44.08 78.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.664 -0.698 . . . . 71.2 111.396 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.48 ' O ' HG13 ' A' ' 57' ' ' ILE . 70.4 mt-30 -61.54 -47.25 86.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 70.33 111.069 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -64.17 -40.19 95.6 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.992 -0.373 . . . . 75.33 109.992 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -56.83 -48.33 78.29 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.978 -0.555 . . . . 74.14 110.941 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 90.5 mtp -62.13 -38.52 89.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.679 -0.691 . . . . 75.15 110.249 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 53' ' ' GLN . 67.6 mt -58.96 -52.3 62.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 62.1 110.912 176.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -58.8 -38.39 78.48 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.081 0.467 . . . . 75.23 110.622 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 59' ' ' LYS . 36.6 ttpt -64.21 -49.26 72.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.706 -0.679 . . . . 73.42 111.487 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.4 t -81.97 -43.19 19.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.449 -0.341 . . . . 74.32 111.875 -174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 4.2 mm? -79.9 -23.8 41.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.73 0.271 . . . . 70.44 111.73 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' A' ' 61' ' ' LEU . 6.8 t70 75.38 -47.56 0.6 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.371 0.668 . . . . 64.21 112.053 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.98 95.88 0.5 Allowed Glycine 0 C--N 1.311 -0.828 0 CA-C-N 115.356 -0.838 . . . . 43.43 112.403 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.436 ' HG ' ' H ' ' A' ' 64' ' ' LEU . 2.0 pp -86.47 12.99 9.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.201 0.524 . . . . 63.23 111.03 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -75.72 99.22 4.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 65.22 109.456 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.8 pt -81.9 20.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.828 -0.623 . . . . 65.41 112.637 -170.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -68.43 -38.46 81.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.48 -0.563 . . . . 73.33 109.48 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -130.1 110.67 11.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.671 -0.695 . . . . 64.03 110.348 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.2 mm -76.64 106.39 6.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.324 -0.398 . . . . 52.42 110.061 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' HG12 ' A' ' 38' ' ' ILE . 27.3 mt-30 -82.24 -30.63 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.075 -0.511 . . . . 62.22 111.332 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.8 tt -137.13 132.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.116 0.484 . . . . 61.5 111.17 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 51.1 tt0 -126.11 125.05 41.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.575 -0.739 . . . . 75.12 109.435 176.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -88.44 134.92 33.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.825 0.345 . . . . 71.51 111.585 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.603 ' HA3' HG12 ' A' ' 41' ' ' ILE . . . -75.28 88.74 0.8 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.765 -0.731 . . . . 44.31 111.618 176.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.4 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 36.2 t -80.68 134.38 35.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.832 0.348 . . . . 54.21 111.521 -175.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 46' ' ' GLN . 3.9 mptp? . . . . . 0 C--O 1.246 0.872 0 N-CA-C 109.001 -0.74 . . . . 72.44 109.001 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 N--CA 1.475 0.403 0 N-CA-C 110.899 -0.462 . . . . 72.44 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.84 -48.44 5.81 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.643 -0.789 . . . . 35.53 112.188 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -83.54 118.87 24.08 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.383 -0.229 . . . . 54.01 110.383 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 85.7 mtp -86.57 -9.3 56.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 73.21 110.552 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -74.95 109.77 8.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.299 0.571 . . . . 71.41 111.412 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 m -119.38 -179.84 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.449 -0.796 . . . . 75.41 110.112 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 p -87.64 158.84 18.76 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.299 -0.26 . . . . 72.04 110.299 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 63.84 24.58 13.79 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.312 0.383 . . . . 72.35 111.762 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 m -60.74 -32.3 71.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.408 -0.36 . . . . 75.12 111.079 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -66.7 -32.98 74.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 65.43 110.363 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.33 -44.22 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.103 -0.703 . . . . 71.13 109.103 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -54.38 -51.66 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.588 -0.733 . . . . 74.31 110.275 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.5 -40.12 90.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 73.45 111.331 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.99 -46.4 89.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 72.01 110.852 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.457 ' HB ' HD13 ' A' ' 24' ' ' ILE . 61.3 mt -66.15 -35.75 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.549 -0.296 . . . . 75.31 110.626 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 24' ' ' ILE . 12.0 mmm180 -68.17 -29.27 68.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.607 0.241 . . . . 75.13 111.558 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -74.73 -41.82 59.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.737 0.304 . . . . 71.44 110.569 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.29 -53.28 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.466 . . . . 63.32 110.986 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -118.86 90.62 41.09 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.029 -0.532 . . . . 74.13 109.716 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.31 -1.03 11.01 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.937 2.425 . . . . 74.32 113.087 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -117.73 13.3 14.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.104 0.478 . . . . 73.54 110.412 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 42' ' ' SER . . . -97.24 133.43 41.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.904 -0.589 . . . . 74.4 111.575 -176.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 42.4 mt-10 -85.53 111.9 20.44 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.084 -0.71 . . . . 74.04 109.084 172.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.457 HD13 ' HB ' ' A' ' 15' ' ' ILE . 22.6 mt -91.55 129.87 41.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.946 -0.57 . . . . 75.31 110.254 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 33.9 m -135.37 105.32 6.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.0 0.429 . . . . 60.33 110.132 172.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.81 119.47 36.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.565 0.697 . . . . 74.44 110.018 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.903 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 21.0 m -95.87 105.47 17.49 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.501 -0.772 . . . . 63.14 110.319 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -83.46 106.03 14.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.892 -0.595 . . . . 51.11 110.556 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.39 107.89 3.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.484 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -67.06 140.42 19.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 71.32 110.216 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.62 -58.25 0.41 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.395 -0.682 . . . . 63.24 111.395 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -148.03 117.39 6.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.958 0.408 . . . . 71.24 109.936 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.0 36.01 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.919 -0.582 . . . . 73.15 111.672 -172.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -68.01 -16.61 64.12 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.026 0.441 . . . . 61.41 110.577 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -149.57 142.81 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 54.44 110.679 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -120.61 127.18 51.87 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.69 -0.856 . . . . 71.31 108.69 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.903 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 20.7 m -76.48 118.44 19.15 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.224 -0.59 . . . . 63.0 109.681 -178.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -99.95 100.03 9.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.943 0.401 . . . . 73.4 110.064 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 87.9 tttt -92.62 110.86 22.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.673 . . . . 73.43 110.099 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -111.18 105.87 19.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.004 -0.544 . . . . 63.22 110.448 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.468 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 50.3 mm -101.71 105.31 17.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.165 -0.471 . . . . 73.31 109.888 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.422 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . 45.5 t -144.02 147.63 34.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.412 -0.358 . . . . 71.22 110.804 -177.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 m -65.23 -15.86 62.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.324 0.583 . . . . 73.12 110.19 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.84 -4.84 37.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.733 . . . . 53.44 110.774 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -116.53 9.28 14.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 62.12 110.335 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -117.15 136.67 52.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.535 . . . . 75.13 110.172 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.21 -2.29 37.03 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.023 -0.608 . . . . 61.23 112.504 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.6 mmpt? -78.34 -178.87 5.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.129 0.49 . . . . 74.22 111.143 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 m -104.49 144.33 31.81 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.509 -0.552 . . . . 74.4 109.509 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -52.32 -38.61 58.99 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.354 0.409 . . . . 71.43 111.821 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.14 -49.37 71.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.406 -0.361 . . . . 63.51 110.742 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -57.78 -45.53 85.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.59 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -61.56 -47.39 85.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.742 -0.663 . . . . 70.33 111.148 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -59.56 -46.41 88.99 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.879 -0.415 . . . . 75.33 109.879 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -57.19 -50.03 74.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.779 -0.646 . . . . 74.14 111.49 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 73.1 mtm -62.81 -49.49 74.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 75.15 111.321 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.511 HG23 HD13 ' A' ' 71' ' ' ILE . 60.2 mt -64.46 -39.09 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.065 0.459 . . . . 62.1 110.355 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -65.29 -31.91 73.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 75.23 110.517 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 46.6 tptt -78.67 -39.54 36.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.31 -0.405 . . . . 73.42 111.266 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 57' ' ' ILE . 32.3 m -73.92 -27.75 22.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.429 -0.508 . . . . 74.32 110.644 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 61' ' ' LEU . 3.8 mm? -90.74 27.32 1.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 70.44 110.546 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.84 -34.57 76.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 64.21 110.983 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.33 50.74 1.43 Allowed Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.423 -0.808 . . . . 43.43 111.672 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.2 152.36 41.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.05 0.452 . . . . 63.23 110.979 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -130.47 -170.21 2.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.875 -0.602 . . . . 65.22 109.57 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.6 tp -83.09 70.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 122.128 0.966 . . . . 65.41 111.271 -177.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -148.27 -176.74 5.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.155 -0.93 . . . . 73.33 109.37 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.83 153.55 18.78 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.718 0.294 . . . . 64.03 110.97 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.1 pt -68.23 149.9 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 52.42 110.281 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -145.78 28.69 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 62.22 111.791 -172.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.511 HD13 HG23 ' A' ' 57' ' ' ILE . 17.5 tt -101.56 127.21 55.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.182 0.515 . . . . 61.5 111.153 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 39' ' ' LYS . 93.3 mt-30 -120.11 117.5 28.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.944 -0.571 . . . . 75.12 109.875 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.0 p -119.48 148.2 43.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.822 0.344 . . . . 71.51 111.299 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.8 88.59 1.0 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.828 -0.701 . . . . 44.31 111.498 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 15.8 t -97.55 115.79 28.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.653 0.263 . . . . 54.21 111.554 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' LYS . 36.2 tptt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.427 -0.797 . . . . 72.44 109.543 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo . . . . . 0 N--CA 1.478 0.591 0 N-CA-C 110.712 -0.534 . . . . 72.44 110.712 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.99 -82.61 0.33 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.046 -0.822 . . . . 35.53 111.046 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 p -167.79 154.86 8.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.856 -0.424 . . . . 54.01 109.856 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -86.4 144.06 27.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.98 -0.378 . . . . 73.21 109.98 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 p -77.54 133.85 38.42 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.195 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.8 m -86.86 157.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.46 -0.336 . . . . 75.41 110.279 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -78.58 173.88 11.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 72.04 109.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -80.09 66.16 5.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.762 -0.458 . . . . 72.35 109.762 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 m -52.52 -39.27 61.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.301 -0.409 . . . . 75.12 111.834 -173.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.88 -34.13 71.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 65.43 111.074 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -72.09 -48.45 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.605 -0.27 . . . . 71.13 110.386 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.54 -37.56 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 74.31 110.438 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.18 -45.78 93.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.419 -0.355 . . . . 73.45 110.058 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.92 -48.62 75.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 72.01 110.051 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.563 HD11 HD12 ' A' ' 38' ' ' ILE . 64.2 mt -61.64 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.036 -0.529 . . . . 75.31 110.713 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -64.61 -39.63 94.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 75.13 111.106 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -71.57 -29.92 65.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 71.44 110.347 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.33 -48.6 15.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 63.32 111.041 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -129.19 92.59 38.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.447 -0.342 . . . . 74.13 110.618 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.48 -13.82 30.46 Favored 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.464 2.109 . . . . 74.32 111.972 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -98.3 6.94 46.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.625 -0.716 . . . . 73.54 110.936 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.96 134.5 41.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.223 -0.444 . . . . 74.4 111.546 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.06 105.95 13.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.841 -0.618 . . . . 74.04 109.807 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.0 mt -88.61 115.56 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.712 -0.676 . . . . 75.31 110.184 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.543 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 16.0 m -120.35 105.31 10.78 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.056 0.455 . . . . 60.33 110.405 176.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.52 126.32 40.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.155 0.502 . . . . 74.44 110.19 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 m -120.34 118.09 29.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.05 -0.523 . . . . 63.14 110.264 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 p -94.46 100.8 12.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.044 -0.525 . . . . 51.11 110.372 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 3.2 mm? -78.51 86.45 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.112 0.482 . . . . 71.35 110.401 -178.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.37 124.74 40.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.547 -0.752 . . . . 71.32 110.26 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.78 -99.53 0.17 Allowed Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.914 -0.875 . . . . 63.24 110.914 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.73 -67.15 0.87 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.121 -0.696 . . . . 71.24 109.121 173.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -100.13 115.44 29.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.784 -0.821 . . . . 73.15 108.784 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.82 109.88 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.19 0.519 . . . . 61.41 111.652 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 39.6 p-80 -122.48 140.63 52.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.035 -0.728 . . . . 54.44 109.035 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -112.24 149.69 31.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.971 0.415 . . . . 71.31 110.867 -172.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -134.48 119.24 18.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.921 -0.581 . . . . 63.0 110.433 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.563 HD12 HD11 ' A' ' 15' ' ' ILE . 14.0 pt -99.55 109.74 25.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.288 0.566 . . . . 73.4 110.236 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 83.0 tttt -86.27 117.88 25.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.563 -0.744 . . . . 73.43 109.977 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.91 109.14 27.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.369 -0.378 . . . . 63.22 110.244 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.3 mt -102.42 129.2 54.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.792 -0.363 . . . . 73.31 110.286 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 t -158.22 146.47 18.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.013 -0.54 . . . . 71.22 110.24 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.602 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 17.8 m -64.12 -11.07 26.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 73.12 111.317 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -69.31 -27.29 65.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 53.44 110.54 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -88.72 -10.56 47.94 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.164 0.431 . . . . 62.12 112.164 -174.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 43' ' ' SER . 27.0 pt20 -64.29 143.79 57.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.643 0.259 . . . . 75.13 110.311 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.41 -24.44 25.45 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.739 -0.743 . . . . 61.23 112.326 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -93.05 133.47 36.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.998 0.428 . . . . 74.22 110.239 -179.297 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.6 m -71.51 165.12 24.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.333 -0.849 . . . . 74.4 111.333 -174.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HG2' ' HB2' ' A' ' 75' ' ' CYS . 55.6 mtpt -55.33 -40.62 71.42 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.134 -0.484 . . . . 71.43 110.873 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.477 ' H ' HD22 ' A' ' 51' ' ' LEU . 3.3 mm? -55.14 -49.8 70.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.594 . . . . 63.51 110.174 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -63.73 -41.42 98.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.741 -0.663 . . . . 71.2 110.785 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.577 ' O ' HG13 ' A' ' 57' ' ' ILE . 67.2 mt-30 -56.69 -47.72 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 70.33 111.134 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.452 ' HA ' HD12 ' A' ' 57' ' ' ILE . 30.1 m80 -72.5 -36.44 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 75.33 110.096 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -60.55 -44.68 95.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 74.14 110.527 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.487 ' CE ' ' HA ' ' A' ' 53' ' ' GLN . 73.0 mtm -61.82 -42.7 99.35 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.095 -0.502 . . . . 75.15 110.339 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.699 HG23 HG12 ' A' ' 71' ' ' ILE . 93.9 mt -55.0 -53.19 36.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.625 0.25 . . . . 62.1 110.752 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -62.15 -36.58 82.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 75.23 111.283 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -77.55 -36.47 52.2 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.092 0.405 . . . . 73.42 112.092 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.3 t -73.32 -41.6 57.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.688 0.28 . . . . 74.32 110.745 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 70' ' ' GLN . 56.7 mt -69.03 -29.75 67.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.535 -0.302 . . . . 70.44 110.369 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 t70 58.5 76.65 0.33 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.403 -0.817 . . . . 64.21 110.681 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.15 -154.78 25.85 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 110.509 -1.036 . . . . 43.43 110.509 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -110.5 -80.41 0.58 Allowed 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 110.276 -0.268 . . . . 63.23 110.276 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 53.3 28.41 7.24 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.94 -0.573 . . . . 65.22 110.896 -177.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.3 tt -72.58 -3.34 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 115.991 -0.55 . . . . 65.41 112.125 -170.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -81.68 -2.07 49.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.287 0.565 . . . . 73.33 110.001 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 177.1 11.81 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.722 -0.672 . . . . 64.03 109.656 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.34 101.71 12.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.427 -0.583 . . . . 52.42 109.427 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.44 ' HB3' HD11 ' A' ' 61' ' ' LEU . 24.1 tp60 -65.9 -47.55 74.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.329 -0.396 . . . . 62.22 111.102 -175.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.699 HG12 HG23 ' A' ' 57' ' ' ILE . 9.5 pt -123.32 139.58 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.699 -0.482 . . . . 61.5 109.699 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 40.2 mt-30 -114.01 108.41 16.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.421 -0.585 . . . . 75.12 109.421 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -119.7 119.99 35.29 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.513 -0.312 . . . . 71.51 110.694 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.54 -82.44 1.67 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.87 -0.681 . . . . 44.31 112.709 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 50' ' ' LYS . 69.0 m -134.15 164.62 26.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.448 . . . . 54.21 111.716 -175.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.6 tptp . . . . . 0 C--O 1.247 0.962 0 CA-C-N 115.379 -0.828 . . . . 72.44 110.643 179.216 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo . . . . . 0 N--CA 1.474 0.356 0 N-CA-C 110.462 -0.63 . . . . 72.44 110.462 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.6 -81.56 0.85 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.01 -0.614 . . . . 35.53 111.807 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -83.84 109.69 17.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.986 0.422 . . . . 54.01 110.028 177.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 4' ' ' MET . 16.7 mmt -70.97 106.08 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.981 -0.554 . . . . 73.21 111.179 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m -98.39 111.9 24.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.068 -0.515 . . . . 71.41 109.715 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.9 p -111.59 138.79 38.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.365 -0.38 . . . . 75.41 110.682 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -87.25 158.71 19.03 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.777 -0.453 . . . . 72.04 109.777 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -95.22 128.33 41.97 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.127 -0.694 . . . . 72.35 109.127 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m -59.2 -48.59 81.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.395 -0.366 . . . . 75.12 111.281 -174.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.54 -44.84 89.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.58 0.229 . . . . 65.43 111.216 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.67 -48.08 80.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 71.13 110.708 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.11 -54.01 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 74.31 110.435 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.81 -39.18 73.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.013 -0.994 . . . . 73.45 111.066 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.93 -50.73 69.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.5 . . . . 72.01 110.766 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mt -71.99 -34.75 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.982 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -68.3 -35.7 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 75.13 110.811 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -78.19 -31.4 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 71.44 110.571 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.17 -45.99 68.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 63.32 110.706 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -126.96 89.05 53.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.064 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -63.5 -45.02 12.44 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.17 2.58 . . . . 74.32 113.401 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.76 27.35 2.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.222 0.534 . . . . 73.54 111.026 -178.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.42 146.71 46.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.791 -0.64 . . . . 74.4 110.011 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -100.19 120.08 39.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.356 0.598 . . . . 74.04 111.688 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 24' ' ' ILE . 4.1 mp -88.38 110.89 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.402 -0.817 . . . . 75.31 109.098 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 12.8 m -109.57 114.5 28.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.441 -0.345 . . . . 60.33 110.857 -177.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.7 t -82.56 112.07 19.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.516 -0.92 . . . . 74.44 108.516 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.826 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 29.5 m -93.43 106.35 18.33 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.555 -0.748 . . . . 63.14 111.018 -171.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.492 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 17.9 t -86.23 111.0 20.0 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.186 -0.915 . . . . 51.11 109.611 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 mt -87.48 -172.93 4.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.091 -0.707 . . . . 71.35 109.091 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.64 135.44 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.592 -0.892 . . . . 71.32 108.592 171.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.62 55.72 2.08 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.353 -0.451 . . . . 63.24 113.957 -172.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -114.21 -9.67 12.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.477 -0.564 . . . . 71.24 109.477 172.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -105.1 134.75 47.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.447 -0.797 . . . . 73.15 109.258 174.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -67.33 -39.41 85.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.283 0.563 . . . . 61.41 110.635 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -101.07 143.71 30.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.724 -0.671 . . . . 54.44 109.52 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 92.9 m-85 -103.33 172.42 6.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.095 -0.335 . . . . 71.31 110.095 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.826 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 53.4 m -89.61 149.91 22.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.15 0.5 . . . . 63.0 111.259 -173.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.3 pt -115.23 111.86 37.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.864 -0.607 . . . . 73.4 110.1 176.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 3.4 ttmp? -103.7 110.26 22.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.639 -0.504 . . . . 73.43 109.639 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 t -99.15 104.35 15.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.811 -0.631 . . . . 63.22 109.888 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.9 mm -86.81 99.1 7.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.273 0.559 . . . . 73.31 109.538 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 m -142.31 138.83 31.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.387 -0.824 . . . . 71.22 110.354 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.6 m -66.73 -13.01 60.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.253 0.549 . . . . 73.12 110.401 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -72.67 -10.51 59.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.853 -0.612 . . . . 53.44 110.621 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 67.0 m-85 -113.59 13.63 18.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 62.12 111.045 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -121.73 116.44 24.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.813 0.339 . . . . 75.13 111.081 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.06 21.88 50.88 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.927 -0.654 . . . . 61.23 112.711 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -104.48 -171.26 1.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.021 -0.363 . . . . 74.22 110.021 -178.163 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.624 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 44.9 m -85.47 137.17 33.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.728 -0.215 . . . . 74.4 110.912 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 50' ' ' LYS . 45.8 mtmt -56.83 -48.81 77.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.494 -0.321 . . . . 71.43 111.504 -178.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.09 -42.31 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.49 -0.323 . . . . 63.51 110.456 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 56' ' ' MET . 41.6 tt0 -58.12 -49.95 75.18 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.945 -0.57 . . . . 71.2 110.78 177.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 49' ' ' SER . 23.7 mm-40 -59.57 -47.34 85.92 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.982 -0.554 . . . . 70.33 110.904 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -65.55 -40.45 92.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.819 -0.628 . . . . 75.33 110.041 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -59.65 -45.21 92.7 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.335 -0.393 . . . . 74.14 110.779 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.524 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 97.0 mmm -57.75 -45.24 86.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.526 . . . . 75.15 110.374 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.559 HG23 HG21 ' A' ' 71' ' ' ILE . 72.1 mt -59.08 -49.96 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.845 -0.616 . . . . 62.1 111.105 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.617 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 36.9 m-85 -60.52 -31.47 70.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.687 -0.233 . . . . 75.23 111.383 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -69.95 -51.53 31.91 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.007 -0.277 . . . . 73.42 111.663 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.6 m -82.58 -29.09 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 112.726 0.639 . . . . 74.32 112.726 -172.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 31.9 tp -101.55 16.62 25.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.098 0.475 . . . . 70.44 111.102 -172.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 8.3 t0 -87.69 100.37 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 64.21 110.524 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -139.18 50.22 0.79 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.55 -1.02 . . . . 43.43 110.55 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.2 mt 63.44 71.63 0.5 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.65 0.738 . . . . 63.23 109.47 -170.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.529 ' OD1' ' HB3' ' A' ' 68' ' ' ALA . 41.3 t30 -139.88 137.06 34.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.99 -1.005 . . . . 65.22 109.986 -175.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.46 102.26 10.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.672 0.272 . . . . 65.41 111.226 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.4 m170 71.84 -7.45 1.26 Allowed 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.423 0.898 . . . . 73.33 113.423 172.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' HB3' ' OD1' ' A' ' 65' ' ' ASN . . . -80.69 94.27 6.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.266 0.555 . . . . 64.03 110.666 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.2 mt -85.6 96.59 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.757 -0.656 . . . . 52.42 110.621 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -100.89 16.63 24.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 62.22 110.352 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.559 HG21 HG23 ' A' ' 57' ' ' ILE . 19.4 tt -109.76 139.59 32.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.991 -0.549 . . . . 61.5 110.687 -177.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -118.3 108.67 15.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.234 -0.654 . . . . 75.12 109.234 172.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 71' ' ' ILE . 6.2 p -118.79 127.02 53.14 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.464 -0.334 . . . . 71.51 111.475 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.72 -137.48 6.58 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.916 -0.659 . . . . 44.31 111.813 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 43.8 t -127.13 135.88 51.34 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.993 -0.373 . . . . 54.21 109.993 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.521 -0.752 . . . . 72.44 109.643 177.535 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo . . . . . 0 N--CA 1.476 0.478 0 N-CA-C 110.435 -0.64 . . . . 72.44 110.435 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.58 117.74 4.58 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.464 -0.874 . . . . 35.53 111.644 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -72.42 93.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.989 0.423 . . . . 54.01 110.107 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -78.29 78.56 4.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.432 0.634 . . . . 73.21 111.179 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 p -88.73 110.06 20.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.722 -0.672 . . . . 71.41 110.269 174.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -89.99 153.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.18 -0.463 . . . . 75.41 111.344 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.9 p -113.32 169.56 8.86 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.737 -0.665 . . . . 72.04 109.889 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.586 ' HB3' HD13 ' A' ' 11' ' ' LEU . 38.7 mt-30 -79.58 72.86 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.283 -1.006 . . . . 72.35 108.283 172.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -63.09 -41.45 99.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.125 -0.943 . . . . 75.12 111.867 -168.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -61.32 -43.1 99.44 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.706 -0.397 . . . . 65.43 109.964 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 8' ' ' GLN . 6.7 mp -66.96 -46.09 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.921 -0.582 . . . . 71.13 110.476 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.46 ' HG3' HG21 ' A' ' 24' ' ' ILE . 41.3 tt0 -60.18 -54.35 46.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.825 -0.625 . . . . 74.31 110.839 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.43 -38.59 81.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.756 . . . . 73.45 110.748 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.64 -50.74 68.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 72.01 110.689 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.87 -40.04 80.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.232 -0.44 . . . . 75.31 111.23 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -68.52 -34.36 75.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.608 -0.269 . . . . 75.13 111.27 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -78.9 -40.13 33.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.896 -0.322 . . . . 71.44 110.832 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.26 80.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.429 -0.351 . . . . 63.32 110.72 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -124.97 92.07 48.27 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.364 -0.38 . . . . 74.13 110.38 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.58 -9.68 26.78 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.613 2.208 . . . . 74.32 111.602 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -93.12 3.91 54.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.119 -0.946 . . . . 73.54 110.201 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -115.82 129.55 56.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.934 0.397 . . . . 74.4 111.652 -175.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.651 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 27.8 mm-40 -82.44 129.18 34.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.639 -0.709 . . . . 74.04 109.682 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.46 HG21 ' HG3' ' A' ' 12' ' ' GLU . 5.7 mm -87.28 110.51 20.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.188 -0.671 . . . . 75.31 109.188 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 14.0 m -109.51 110.27 21.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.993 -0.549 . . . . 60.33 109.854 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 m -89.36 115.15 28.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.565 0.697 . . . . 74.44 111.098 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.915 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 23.8 m -94.06 105.51 17.51 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.762 -0.654 . . . . 63.14 109.646 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -93.75 115.33 27.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.888 -0.597 . . . . 51.11 111.0 -176.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.39 98.86 11.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.252 -0.647 . . . . 71.35 109.252 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.4 t -75.19 122.93 29.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 71.32 110.354 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.76 -65.42 0.31 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.132 -0.787 . . . . 63.24 111.132 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -131.57 134.99 46.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.791 0.329 . . . . 71.24 110.342 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -76.8 69.41 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.684 -0.689 . . . . 73.15 110.538 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -94.95 -77.31 0.47 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.955 -0.566 . . . . 61.41 110.112 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.8 m80 -146.76 145.35 29.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.517 -0.549 . . . . 54.44 109.517 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -113.72 145.76 40.88 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.623 -0.51 . . . . 71.31 109.623 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.915 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 11.1 t -86.4 131.26 34.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.237 -0.438 . . . . 63.0 111.283 -170.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.0 mm -100.48 102.66 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.671 -0.492 . . . . 73.4 109.671 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 4.6 ttmp? -94.88 114.06 25.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.236 0.541 . . . . 73.43 109.778 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.418 HG13 ' HB1' ' A' ' 22' ' ' ALA . 77.8 t -91.15 114.37 28.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.417 -0.811 . . . . 63.22 110.479 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.651 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 50.3 mm -101.61 104.89 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.329 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -150.58 131.32 14.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.207 -0.451 . . . . 71.22 109.989 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.1 m -67.83 -4.64 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.983 -0.553 . . . . 73.12 112.369 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -84.87 -6.26 59.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.408 . . . . 53.44 110.438 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -94.92 -10.64 30.5 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.152 0.501 . . . . 62.12 110.005 172.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.407 ' NE2' ' HB2' ' A' ' 76' ' ' LYS . 8.2 tp60 -73.92 123.77 24.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.669 . . . . 75.13 110.291 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.21 -2.83 59.69 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.669 -0.776 . . . . 61.23 111.852 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HB3' ' HG3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -81.4 174.85 11.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.139 -0.319 . . . . 74.22 110.139 177.65 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.9 m -128.3 162.27 27.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.008 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -45.84 -60.11 2.42 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.722 0.638 . . . . 71.43 112.722 -173.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.97 -43.56 77.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.965 0.412 . . . . 63.51 111.186 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' OE1' ' HG3' ' A' ' 48' ' ' LYS . 36.7 tt0 -69.47 -44.92 70.2 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.834 -0.621 . . . . 71.2 110.863 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.523 ' HG3' ' HB3' ' A' ' 48' ' ' LYS . 54.4 mt-30 -60.46 -47.39 86.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 70.33 110.476 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -60.79 -47.55 85.83 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.002 -0.544 . . . . 75.33 110.094 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -60.08 -44.26 94.91 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 111.755 0.28 . . . . 74.14 111.755 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 69.2 mtm -58.86 -43.66 90.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.954 -0.298 . . . . 75.15 110.206 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 71' ' ' ILE . 98.2 mt -55.7 -50.49 67.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.084 -0.507 . . . . 62.1 110.686 175.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -64.31 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.978 0.362 . . . . 75.23 111.978 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -81.1 -30.25 34.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.117 0.414 . . . . 73.42 112.117 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -88.51 -34.15 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 120.537 -0.465 . . . . 74.32 111.062 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.1 32.29 2.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.406 0.622 . . . . 70.44 109.533 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -74.55 87.23 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.607 -0.724 . . . . 64.21 110.626 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.43 31.71 1.66 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.673 -0.694 . . . . 43.43 111.62 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.5 mt 60.4 28.01 17.63 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.182 0.438 . . . . 63.23 112.182 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -102.99 84.26 2.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.759 -0.46 . . . . 65.22 109.759 175.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 52.6 mt -82.25 101.62 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.249 -0.432 . . . . 65.41 111.153 -173.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.6 m170 66.22 8.93 5.94 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.581 -0.736 . . . . 73.33 111.636 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.84 -28.78 61.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.035 0.445 . . . . 64.03 110.733 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.2 mm -100.98 131.47 48.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.715 -0.675 . . . . 52.42 110.091 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -80.14 87.66 5.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.174 0.512 . . . . 62.22 110.33 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 57' ' ' ILE . 2.8 tp -97.64 119.18 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 61.5 110.211 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 84.8 mm-40 -127.59 118.96 24.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.11 -0.496 . . . . 75.12 110.017 178.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.7 p -92.23 124.52 36.36 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 121.015 -0.274 . . . . 71.51 110.752 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.0 156.91 29.0 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.04 -0.6 . . . . 44.31 112.481 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.9 p -133.96 164.67 26.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.624 0.25 . . . . 54.21 110.62 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HB2' ' NE2' ' A' ' 46' ' ' GLN . 28.3 mmmt . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.417 -0.801 . . . . 72.44 110.484 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo . . . . . 0 N--CA 1.474 0.331 0 N-CA-C 110.32 -0.685 . . . . 72.44 110.32 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.27 -147.3 16.23 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.327 -0.709 . . . . 35.53 111.327 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -86.4 -5.58 59.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.73 0.3 . . . . 54.01 110.287 178.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 67.3 mtt -86.47 113.45 22.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 73.21 110.788 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 35' ' ' HIS . 16.4 m -129.27 109.57 11.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.867 -0.606 . . . . 71.41 109.71 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.48 HG23 ' HE2' ' A' ' 36' ' ' TYR . 10.5 p -140.31 158.33 25.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.121 -174.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -89.56 159.28 17.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.115 0.483 . . . . 72.04 110.723 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -144.4 147.69 33.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.645 -0.707 . . . . 72.35 109.458 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -60.95 -35.09 75.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.766 0.317 . . . . 75.12 110.57 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -69.61 -37.24 76.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 65.43 110.462 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.69 -46.56 71.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 71.13 110.1 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.61 -43.06 97.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.858 -0.61 . . . . 74.31 110.862 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.25 -45.34 91.45 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.774 -0.454 . . . . 73.45 109.774 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.8 -47.56 82.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 72.01 110.608 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.1 mt -59.83 -48.84 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.234 -0.439 . . . . 75.31 111.006 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -72.52 -27.66 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.687 0.28 . . . . 75.13 111.553 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -79.15 -38.05 36.96 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.968 -0.293 . . . . 71.44 110.522 178.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.68 -40.03 63.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.065 0.459 . . . . 63.32 110.446 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -129.55 88.77 49.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.074 -0.512 . . . . 74.13 110.741 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.72 -3.69 14.22 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.621 2.214 . . . . 74.32 111.119 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -99.39 14.66 28.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.699 -1.137 . . . . 73.54 109.581 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.13 139.06 48.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 74.4 111.133 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -98.77 138.55 35.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.425 . . . . 74.04 110.219 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -108.03 117.78 54.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 75.31 110.855 -175.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 13.4 m -122.0 123.35 41.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.096 -0.335 . . . . 60.33 110.096 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 m -83.03 110.35 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.552 0.692 . . . . 74.44 110.622 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 m -94.24 127.26 39.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 63.14 111.106 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 p -85.14 110.24 18.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.731 -0.668 . . . . 51.11 110.98 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.99 -52.0 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.35 110.272 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 32' ' ' ASP . 15.0 p -121.33 -22.25 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.85 -0.614 . . . . 71.32 110.194 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.79 -33.94 6.07 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.872 -0.68 . . . . 63.24 111.49 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.685 ' H ' HG13 ' A' ' 30' ' ' VAL . 25.0 t70 -72.41 153.91 41.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.749 -0.226 . . . . 71.24 110.695 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.625 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . 12.7 m120 -67.02 -15.74 63.92 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.519 0.563 . . . . 73.15 112.519 -174.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -60.72 -34.05 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.952 0.723 . . . . 61.41 112.952 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' HA ' ' O ' ' A' ' 5' ' ' THR . 31.1 p80 -157.41 126.44 5.84 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.918 -0.713 . . . . 54.44 112.745 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.625 ' CE2' ' HA ' ' A' ' 33' ' ' ASN . 93.2 m-85 -128.7 174.19 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.939 -1.028 . . . . 71.31 109.727 174.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.8 m -121.69 138.27 54.41 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.924 -0.399 . . . . 63.0 109.924 171.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.1 mt -99.73 115.7 41.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.962 -0.384 . . . . 73.4 109.962 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 14.0 ttmt -88.93 126.1 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.779 -0.452 . . . . 73.43 109.779 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.2 t -121.32 107.45 20.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.923 -0.581 . . . . 63.22 109.928 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.48 113.05 30.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.275 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.2 t -156.66 146.76 21.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.089 -0.505 . . . . 71.22 110.202 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 m -69.13 -8.79 48.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.144 -0.48 . . . . 73.12 110.831 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -79.19 -10.29 59.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.033 0.444 . . . . 53.44 110.266 175.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -108.3 -10.71 15.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 62.12 110.108 173.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -84.86 143.4 29.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.66 . . . . 75.13 110.286 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 -28.02 6.99 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.61 -0.805 . . . . 61.23 112.146 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -87.71 164.74 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.275 -0.269 . . . . 74.22 110.275 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -97.3 162.98 13.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.096 0.474 . . . . 74.4 111.653 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.655 ' HG3' HD22 ' A' ' 51' ' ' LEU . 16.6 ptpt -55.75 -37.52 68.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.376 -0.829 . . . . 71.43 112.404 -177.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.655 HD22 ' HG3' ' A' ' 50' ' ' LYS . 4.2 mm? -58.41 -47.96 82.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 63.51 110.291 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -60.31 -45.93 91.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.493 -0.776 . . . . 71.2 110.243 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' HG12 ' A' ' 57' ' ' ILE . 88.5 mt-30 -59.75 -46.96 87.56 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.587 -0.733 . . . . 70.33 110.691 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -61.02 -47.48 86.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 75.33 110.824 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 8.6 mpt_? -58.84 -52.34 66.16 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.284 -0.416 . . . . 74.14 111.35 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.427 ' O ' HG23 ' A' ' 60' ' ' VAL . 71.3 mtm -57.17 -49.53 75.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.282 -0.417 . . . . 75.15 111.016 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.531 HG13 HG12 ' A' ' 71' ' ' ILE . 45.9 mm -62.25 -41.07 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 62.1 110.961 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -65.03 -33.75 76.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.024 -0.534 . . . . 75.23 111.046 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -78.2 -41.77 33.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 73.42 111.252 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 56' ' ' MET . 92.3 t -65.92 -44.53 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.957 0.408 . . . . 74.32 110.641 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -94.25 35.19 1.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.108 -0.496 . . . . 70.44 110.172 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.2 125.65 24.11 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.721 -0.672 . . . . 64.21 111.57 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.38 179.17 42.3 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 109.8 -1.32 . . . . 43.43 109.8 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.7 tp -74.99 78.51 2.19 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.924 0.392 . . . . 63.23 110.15 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -153.9 92.36 1.54 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.925 -0.579 . . . . 65.22 109.498 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 66' ' ' ILE . 4.2 mp -99.47 100.47 10.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.0 -0.546 . . . . 65.41 110.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -133.37 148.7 51.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.821 -0.627 . . . . 73.33 110.647 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.32 -35.29 58.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.072 -0.513 . . . . 64.03 111.145 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.0 tt -141.89 105.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.616 0.722 . . . . 52.42 111.633 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.48 1.11 2.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.5 -0.773 . . . . 62.22 110.087 171.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.531 HG12 HG13 ' A' ' 57' ' ' ILE . 2.4 tp -133.99 136.72 53.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.161 -0.927 . . . . 61.5 109.356 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 79.6 mt-30 -122.53 108.31 13.01 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.266 -0.642 . . . . 75.12 109.266 174.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 p -107.11 139.25 41.83 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 116.304 -0.407 . . . . 71.51 111.018 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.12 90.18 0.17 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.946 -0.645 . . . . 44.31 112.347 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 47.4 t -84.55 115.79 22.8 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.631 -0.507 . . . . 54.21 109.631 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.6 tttm . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.597 -0.716 . . . . 72.44 109.485 179.502 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.478 0.585 0 N-CA-C 110.338 -0.678 . . . . 72.44 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.08 -152.75 6.18 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.61 -0.805 . . . . 35.53 112.117 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p 54.86 18.63 2.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.743 0.817 . . . . 54.01 111.963 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -81.38 174.21 11.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.568 . . . . 73.21 110.275 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -140.96 125.53 17.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.276 0.56 . . . . 71.41 110.249 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.15 154.34 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.997 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -80.42 161.74 24.79 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.809 -0.632 . . . . 72.04 110.16 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 5.7 tp-100 63.0 27.31 15.86 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 122.271 1.034 . . . . 72.35 109.628 -175.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 p -65.04 -22.68 67.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.521 -1.218 . . . . 75.12 111.349 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -67.39 -41.48 84.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 65.43 110.382 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 HG13 ' A' ' 38' ' ' ILE . 2.4 tm? -69.31 -40.19 77.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.894 -0.78 . . . . 71.13 108.894 176.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.32 -54.63 43.14 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.677 -0.692 . . . . 74.31 109.937 174.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.3 -35.61 72.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.788 -0.642 . . . . 73.45 111.52 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.42 -48.49 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.037 -0.357 . . . . 72.01 110.037 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.637 HD12 HG21 ' A' ' 38' ' ' ILE . 67.3 mt -68.6 -34.29 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 75.31 110.51 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -61.61 -38.09 86.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.351 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -83.68 -26.33 29.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 71.44 111.308 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.14 -51.31 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.389 -0.369 . . . . 63.32 110.399 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.66 92.82 14.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 74.13 110.151 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.25 -18.18 50.34 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.808 2.339 . . . . 74.32 112.05 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -97.69 22.9 8.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 73.54 110.362 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' A' ' 42' ' ' SER . . . -112.09 134.02 53.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.754 -0.657 . . . . 74.4 110.653 178.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 7.3 mm-40 -78.4 101.09 7.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.386 -0.598 . . . . 74.04 109.386 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 57.4 mt -87.79 110.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.051 -0.522 . . . . 75.31 110.293 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 25.9 m -109.16 111.68 23.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.504 . . . . 60.33 110.764 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 m -83.05 126.94 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.155 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 m -125.56 116.47 21.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.367 -0.378 . . . . 63.14 111.23 -175.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.541 ' HB3' ' CE2' ' A' ' 36' ' ' TYR . 2.4 p -85.47 111.36 19.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.112 0.482 . . . . 51.11 111.005 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -106.84 114.48 28.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.181 0.515 . . . . 71.35 109.96 178.582 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.15 93.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.723 -0.671 . . . . 71.32 109.894 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.14 -115.87 2.61 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.811 -0.709 . . . . 63.24 111.832 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -84.06 -10.8 57.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.539 0.685 . . . . 71.24 109.585 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -155.31 137.81 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.861 -1.063 . . . . 73.15 108.857 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.67 93.8 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.511 -0.551 . . . . 61.41 109.511 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -122.69 158.81 29.26 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.623 -0.717 . . . . 54.44 109.868 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 38.9 m-85 -115.84 130.7 56.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.786 0.327 . . . . 71.31 110.664 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -101.89 145.32 29.39 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.903 -0.777 . . . . 63.0 108.903 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.637 HG21 HD12 ' A' ' 15' ' ' ILE . 42.3 mm -112.55 109.13 27.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 120.924 0.392 . . . . 73.4 110.596 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 35.4 mtmm -89.46 116.83 27.93 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.725 -0.472 . . . . 73.43 109.725 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.37 104.47 17.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 63.22 110.274 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 41.2 mm -102.67 112.46 36.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.062 -0.517 . . . . 73.31 109.913 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.507 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 32.2 t -152.1 147.75 26.83 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.42 -0.512 . . . . 71.22 111.185 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 p -64.41 -18.47 64.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.596 -0.729 . . . . 73.12 110.709 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.82 -16.27 62.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.863 -0.608 . . . . 53.44 110.868 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -111.11 -8.76 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.887 0.375 . . . . 62.12 110.49 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HG3' ' HG3' ' A' ' 76' ' ' LYS . 10.3 tt0 -87.61 125.45 34.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.777 -175.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.37 19.87 70.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.083 -0.58 . . . . 61.23 112.495 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -105.02 157.31 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.191 -0.3 . . . . 74.22 110.191 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.478 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 15.6 m -60.58 132.84 55.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.262 -0.426 . . . . 74.4 110.35 175.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 59.2 mttp -61.67 -40.23 94.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 71.43 110.963 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 96.5 mt -54.27 -46.68 72.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.231 -0.441 . . . . 63.51 110.164 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG2' ' HB2' ' A' ' 49' ' ' SER . 31.4 mm-40 -63.43 -43.0 98.7 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.858 -0.61 . . . . 71.2 111.081 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.522 ' O ' HG12 ' A' ' 57' ' ' ILE . 81.4 mt-30 -57.87 -47.75 81.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.169 0.509 . . . . 70.33 110.118 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -68.94 -39.72 79.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.551 -0.749 . . . . 75.33 110.383 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 51' ' ' LEU . 76.2 mtp180 -53.9 -53.96 45.41 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.104 0.478 . . . . 74.14 110.647 175.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 66.2 mtm -62.99 -46.17 88.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.503 -0.771 . . . . 75.15 111.131 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 53' ' ' GLN . 41.3 mm -64.47 -42.78 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.64 -0.255 . . . . 62.1 111.036 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -66.34 -33.01 74.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.632 0.254 . . . . 75.23 111.061 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -38.52 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.504 -0.317 . . . . 73.42 110.782 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.458 HG13 HD22 ' A' ' 61' ' ' LEU . 14.8 p -80.54 -31.47 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 120.948 -0.301 . . . . 74.32 111.242 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.458 HD22 HG13 ' A' ' 60' ' ' VAL . 4.0 mm? -85.87 6.88 26.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.848 0.356 . . . . 70.44 110.86 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.66 118.56 10.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 64.21 109.883 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.72 52.26 0.27 Allowed Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.654 -0.978 . . . . 43.43 110.654 -173.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 3.6 pp -92.82 156.58 16.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.521 -0.34 . . . . 63.23 110.968 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.485 ' HB2' HD12 ' A' ' 66' ' ' ILE . 19.0 m120 -139.62 -57.96 0.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.018 -0.537 . . . . 65.22 109.8 177.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 65' ' ' ASN . 4.6 mp -91.64 -59.27 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.91 -0.586 . . . . 65.41 110.083 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -157.93 137.12 11.7 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.931 -0.766 . . . . 73.33 108.931 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 64' ' ' LEU . . . -107.73 -47.1 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.816 0.341 . . . . 64.03 111.742 -176.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 pt -79.62 78.37 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.489 0.661 . . . . 52.42 112.467 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.71 18.05 5.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.664 -0.698 . . . . 62.22 109.434 171.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.429 HD13 HD12 ' A' ' 57' ' ' ILE . 7.8 tt -111.12 119.1 58.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.421 -0.809 . . . . 61.5 109.894 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . 49.1 mt-30 -113.44 108.51 17.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.874 -0.603 . . . . 75.12 110.197 -177.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 p -88.83 138.73 31.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.354 -0.385 . . . . 71.51 111.16 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.52 84.34 0.44 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.152 -0.547 . . . . 44.31 112.01 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.1 t -81.68 139.01 35.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.123 0.487 . . . . 54.21 111.735 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.601 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 35.3 mmtp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.267 -0.873 . . . . 72.44 109.2 175.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 N--CA 1.477 0.554 0 N-CA-C 110.821 -0.492 . . . . 72.44 110.821 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.63 93.74 1.49 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.994 -0.622 . . . . 35.53 111.969 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -114.03 122.91 48.33 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.623 -0.51 . . . . 54.01 109.623 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -100.5 -43.78 6.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.319 -0.4 . . . . 73.21 110.411 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.859 HG21 ' HA ' ' A' ' 33' ' ' ASN . 31.8 m -73.65 133.87 43.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.208 -0.451 . . . . 71.41 110.288 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 m -86.8 160.43 3.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.164 0.506 . . . . 75.41 110.956 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 t -87.73 179.7 6.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.411 -0.813 . . . . 72.04 109.51 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.47 58.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 72.35 110.304 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.541 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 67.6 m -66.16 -22.65 66.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.919 0.711 . . . . 75.12 112.919 -172.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -67.64 -40.22 84.58 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.208 -0.597 . . . . 65.43 109.473 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' O ' HG12 ' A' ' 15' ' ' ILE . 3.2 tm? -71.04 -44.07 66.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.726 -0.67 . . . . 71.13 109.293 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.541 ' OE1' ' HA ' ' A' ' 9' ' ' SER . 81.4 mt-10 -57.03 -51.59 68.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.531 . . . . 74.31 110.205 176.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.72 -42.76 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.796 -0.638 . . . . 73.45 110.441 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.22 -49.29 76.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.291 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 11' ' ' LEU . 50.0 mm -59.7 -47.0 92.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.507 -0.315 . . . . 75.31 110.913 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -66.13 -38.25 87.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 75.13 111.368 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.69 -23.07 39.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.446 -0.343 . . . . 71.44 111.126 -176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.69 -47.98 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.715 0.293 . . . . 63.32 110.387 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -128.94 97.8 25.78 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 74.13 110.513 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.45 -25.13 48.73 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.654 2.236 . . . . 74.32 112.126 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -82.03 -1.79 49.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.723 -0.672 . . . . 73.54 111.247 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.29 129.71 43.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.451 -0.34 . . . . 74.4 110.18 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -92.79 131.23 38.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.326 0.584 . . . . 74.04 111.039 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -105.6 117.76 51.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.065 -0.97 . . . . 75.31 109.731 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.557 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 14.3 m -119.17 107.68 13.74 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.877 -0.329 . . . . 60.33 110.185 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.03 115.13 24.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.645 0.736 . . . . 74.44 110.122 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.934 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 12.0 m -94.71 111.54 23.31 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.395 -0.821 . . . . 63.14 110.602 -177.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.601 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 37.5 m -87.08 121.69 29.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.557 -0.747 . . . . 51.11 109.375 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HG ' HG22 ' A' ' 30' ' ' VAL . 2.4 pt? -135.81 -51.87 0.74 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.837 -0.345 . . . . 71.35 111.725 -175.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG22 ' HG ' ' A' ' 29' ' ' LEU . 35.6 m -131.44 148.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 71.32 111.407 -174.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.34 -173.83 32.03 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.492 -0.777 . . . . 63.24 113.648 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' HA ' ' OH ' ' A' ' 36' ' ' TYR . 25.0 t70 -135.73 -63.36 0.66 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.42 -0.585 . . . . 71.24 109.42 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.859 ' HA ' HG21 ' A' ' 5' ' ' THR . 9.1 t-20 -83.92 53.71 2.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.866 -0.791 . . . . 73.15 108.866 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -136.04 -176.88 4.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 61.41 110.568 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -88.18 137.13 32.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.561 . . . . 54.44 110.3 175.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.601 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 63.4 m-85 -107.76 173.66 6.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.943 -0.571 . . . . 71.31 110.287 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.934 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 23.3 t -86.52 126.13 34.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.888 0.375 . . . . 63.0 110.482 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.3 mm -99.9 105.6 17.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.117 0.484 . . . . 73.4 109.908 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 22.0 ttmm -92.68 113.48 25.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.068 -0.514 . . . . 73.43 109.924 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -98.63 114.53 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.765 -0.652 . . . . 63.22 110.479 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mm -106.06 100.21 10.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.884 -0.598 . . . . 73.31 109.721 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 15.7 m -125.94 136.49 53.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.818 0.342 . . . . 71.22 110.597 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 7.8 t -67.8 -17.21 64.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.804 -0.635 . . . . 73.12 109.536 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -72.19 -8.6 55.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.412 -0.813 . . . . 53.44 111.434 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 46.3 m-85 -99.28 -10.92 21.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.536 0.198 . . . . 62.12 111.536 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 43' ' ' SER . 19.5 pt20 -78.68 143.61 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 75.13 110.374 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.43 -26.79 12.22 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.371 -0.691 . . . . 61.23 111.371 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -91.8 138.5 31.51 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.362 -0.607 . . . . 74.22 109.362 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB2' ' OE1' ' A' ' 52' ' ' GLU . 20.2 m -81.19 169.76 16.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.376 -0.375 . . . . 74.4 111.045 -173.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -52.17 -34.14 43.69 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.791 -0.64 . . . . 71.43 111.71 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 tt -65.85 -49.7 67.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.386 . . . . 63.51 110.398 -174.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE1' ' HB2' ' A' ' 49' ' ' SER . 2.6 mp0 -58.96 -44.62 91.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.19 0.519 . . . . 71.2 110.025 177.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 57' ' ' ILE . 78.7 mt-30 -59.7 -43.75 93.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 70.33 110.527 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -61.17 -42.45 98.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.309 -0.405 . . . . 75.33 110.966 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -58.0 -49.63 76.2 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.321 0.581 . . . . 74.14 110.558 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.45 ' O ' HG23 ' A' ' 60' ' ' VAL . 82.0 mtp -58.63 -52.96 63.46 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.975 -1.011 . . . . 75.15 110.434 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.542 HG23 HD13 ' A' ' 71' ' ' ILE . 68.8 mt -57.54 -43.12 82.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.075 0.464 . . . . 62.1 110.292 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -54.34 -47.98 71.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.391 -0.822 . . . . 75.23 111.355 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 23.9 mmtt -86.04 -23.95 26.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.308 0.855 . . . . 73.42 113.308 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 56' ' ' MET . 48.2 t -68.02 -47.6 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.595 -0.442 . . . . 74.32 110.077 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.93 -33.61 45.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.146 -0.479 . . . . 70.44 110.049 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 61.47 33.76 18.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.311 -0.859 . . . . 64.21 110.15 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.43 149.06 19.8 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.503 -0.771 . . . . 43.43 111.302 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.15 99.15 5.3 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.945 0.402 . . . . 63.23 110.462 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -99.08 61.32 1.24 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.068 0.461 . . . . 65.22 110.642 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.3 mt -97.7 -34.19 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.895 -0.593 . . . . 65.41 109.571 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -62.43 -49.7 74.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.689 -0.687 . . . . 73.33 110.066 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.64 90.36 2.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.302 -0.863 . . . . 64.03 109.844 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 tp -82.92 90.72 2.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.868 0.842 . . . . 52.42 110.023 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -96.89 -2.1 44.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.39 -0.823 . . . . 62.22 111.851 -174.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.542 HD13 HG23 ' A' ' 57' ' ' ILE . 8.0 tt -113.15 119.25 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.235 0.54 . . . . 61.5 110.215 174.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -116.74 119.87 36.82 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.333 -0.617 . . . . 75.12 109.333 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.0 m -107.56 129.74 54.95 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.45 -0.341 . . . . 71.51 111.406 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.24 163.44 32.64 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.976 -0.63 . . . . 44.31 113.624 173.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 43.2 t -134.25 139.74 45.96 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.132 -0.692 . . . . 54.21 109.132 175.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.72 -0.657 . . . . 72.44 110.507 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 CA--C 1.518 -0.278 0 N-CA-C 110.276 -0.702 . . . . 72.44 110.276 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.8 73.23 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 119.944 -1.122 . . . . 35.53 113.293 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -88.27 125.01 34.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.6 -0.889 . . . . 54.01 108.6 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 4' ' ' MET . 15.6 tpt 61.9 32.35 17.94 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.84 0.828 . . . . 73.21 109.702 -174.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.1 t -84.8 152.03 23.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.692 -0.686 . . . . 71.41 110.126 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.9 p -156.65 135.46 3.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.942 -0.572 . . . . 75.41 109.584 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m -81.23 158.64 24.78 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.666 -0.494 . . . . 72.04 109.666 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.29 88.79 3.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.411 -0.589 . . . . 72.35 109.411 175.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 m -59.3 -33.68 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.324 -0.853 . . . . 75.12 112.113 -174.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.44 -37.44 87.54 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.692 -0.403 . . . . 65.43 110.566 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.44 -42.75 71.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.944 0.402 . . . . 71.13 110.111 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -59.79 -51.42 69.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.825 -0.625 . . . . 74.31 109.785 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.99 -38.96 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.661 -0.7 . . . . 73.45 110.662 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.0 -49.35 78.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.745 0.307 . . . . 72.01 110.487 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -64.72 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.654 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -69.08 -33.93 74.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 75.13 111.152 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -78.32 -33.33 49.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 71.44 110.599 178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.06 -45.29 34.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 63.32 110.726 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -126.81 89.81 51.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.388 -0.369 . . . . 74.13 110.644 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.72 6.73 3.1 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 123.012 2.475 . . . . 74.32 111.968 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -115.99 13.18 15.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.559 -0.746 . . . . 73.54 110.303 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -112.19 131.82 55.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.521 . . . . 74.4 112.204 -174.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.742 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -85.34 106.95 17.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.832 -0.803 . . . . 74.04 108.832 174.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.4 mt -90.71 124.17 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.874 -0.603 . . . . 75.31 111.549 -174.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.653 ' HB ' ' HE2' ' A' ' 39' ' ' LYS . 86.7 m -135.2 128.79 32.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.297 -0.411 . . . . 60.33 110.643 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.1 m -100.42 121.26 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.0 0.429 . . . . 74.44 110.174 174.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.6 m -120.85 121.13 37.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.233 -0.44 . . . . 63.14 111.293 -176.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 m -80.74 131.11 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.291 -0.413 . . . . 51.11 110.245 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 37' ' ' SER . 7.6 mp -78.82 82.62 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.458 -0.337 . . . . 71.35 110.803 -177.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.4 m 40.26 31.12 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.553 1.141 . . . . 71.32 112.834 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.47 124.94 1.31 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 111.217 -0.753 . . . . 63.24 111.217 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -67.49 -40.07 85.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.834 0.349 . . . . 71.24 111.083 -172.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -111.47 13.11 21.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.859 0.361 . . . . 73.15 110.984 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.03 -79.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.914 0.388 . . . . 61.41 110.748 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -146.19 152.84 39.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.277 -0.42 . . . . 54.44 110.327 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -119.48 135.5 54.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.019 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 29' ' ' LEU . 9.6 t -106.46 126.22 51.98 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.958 -0.756 . . . . 63.0 108.958 173.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.8 mp -99.83 104.27 15.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.445 -0.576 . . . . 73.4 109.445 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.653 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 29.6 ttpt -87.02 116.0 24.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.777 -0.647 . . . . 73.43 110.219 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.403 HG13 ' HB1' ' A' ' 22' ' ' ALA . 61.4 t -113.07 104.28 16.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.958 -0.564 . . . . 63.22 109.497 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.742 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 39.6 mm -95.11 107.79 19.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.137 0.494 . . . . 73.31 110.785 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -151.06 136.36 17.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.532 -0.758 . . . . 71.22 109.52 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.1 m -70.37 -2.45 13.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.324 0.583 . . . . 73.12 110.486 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.98 -20.65 45.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.591 -0.731 . . . . 53.44 110.371 176.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.43 -10.84 47.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.468 -0.333 . . . . 62.12 111.504 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -81.08 127.61 32.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.179 -0.304 . . . . 75.13 110.179 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.07 2.23 58.18 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.723 -0.751 . . . . 61.23 112.033 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -92.51 132.98 36.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.142 -0.318 . . . . 74.22 110.142 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -75.91 157.04 33.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.095 -0.502 . . . . 74.4 110.283 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -54.82 -41.94 71.29 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.594 0.59 . . . . 71.43 112.594 -174.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.08 -44.33 96.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.701 -0.4 . . . . 63.51 110.404 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -64.31 -41.38 96.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.993 -0.549 . . . . 71.2 110.487 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.513 ' O ' HG12 ' A' ' 57' ' ' ILE . 54.2 mt-30 -57.7 -47.29 82.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.146 -0.479 . . . . 70.33 110.022 176.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -62.05 -48.12 81.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.757 -0.656 . . . . 75.33 110.028 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -54.52 -50.95 66.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.887 -0.597 . . . . 74.14 111.382 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.8 mtm -62.13 -47.81 82.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 75.15 111.128 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 53' ' ' GLN . 37.7 mm -64.36 -48.04 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.541 -0.299 . . . . 62.1 111.213 -178.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.515 ' HB3' HD23 ' A' ' 64' ' ' LEU . 17.9 m-85 -63.95 -31.21 72.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.514 -0.312 . . . . 75.23 111.001 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -73.07 -48.95 31.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.712 -0.222 . . . . 73.42 111.169 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.85 -34.74 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 120.863 0.363 . . . . 74.32 111.484 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -85.99 -15.49 41.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.756 0.312 . . . . 70.44 110.194 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 t70 55.97 77.79 0.22 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.182 -0.917 . . . . 64.21 110.774 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.5 83.69 0.1 Allowed Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.239 -0.892 . . . . 43.43 111.854 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 58' ' ' TYR . 80.2 mt -83.15 -4.76 58.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.942 0.401 . . . . 63.23 110.907 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -79.91 -64.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.925 -0.58 . . . . 65.22 111.618 -176.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.2 tt -77.52 139.7 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.068 0.461 . . . . 65.41 111.142 -175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -120.58 84.72 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 73.33 109.949 177.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.93 123.63 21.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.647 -0.706 . . . . 64.03 110.228 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 69' ' ' ILE . 3.5 mp -81.09 83.78 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.824 0.821 . . . . 52.42 110.063 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -104.76 4.88 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.031 -0.986 . . . . 62.22 109.133 175.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 tp -96.95 122.83 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.957 -1.02 . . . . 61.5 109.242 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.55 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . 62.1 tp60 -106.28 110.02 22.13 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.289 0.566 . . . . 75.12 110.829 -175.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.3 p -124.1 146.5 48.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.512 -0.767 . . . . 71.51 109.937 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.4 38.57 3.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.879 -0.677 . . . . 44.31 113.032 -176.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 37.7 t -100.48 150.12 22.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.865 -0.42 . . . . 54.21 109.865 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' ' 76' ' ' LYS . 11.3 mptt . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.708 -0.663 . . . . 72.44 110.188 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 N--CA 1.483 0.862 0 N-CA-C 110.679 -0.547 . . . . 72.44 110.679 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.16 -110.51 3.53 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.286 -0.483 . . . . 35.53 113.537 172.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -63.42 -24.18 67.72 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 122.969 0.508 . . . . 54.01 112.287 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.4 mtt -82.74 -5.63 59.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.997 0.427 . . . . 73.21 111.012 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.6 p -125.33 174.12 8.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.063 -0.517 . . . . 71.41 110.238 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -121.4 133.0 69.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.135 0.493 . . . . 75.41 110.801 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -113.18 166.78 11.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.765 -0.652 . . . . 72.04 109.267 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -76.05 90.66 3.05 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.741 -0.466 . . . . 72.35 109.741 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -59.52 -34.64 72.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.523 -0.762 . . . . 75.12 111.469 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -64.1 -38.43 91.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.33 -0.396 . . . . 65.43 110.119 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.63 -50.58 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 71.13 110.225 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -52.85 -52.29 57.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.814 -0.63 . . . . 74.31 110.372 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.24 -47.36 86.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.6 -0.727 . . . . 73.45 111.305 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.97 -50.87 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.646 0.26 . . . . 72.01 111.166 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.5 mt -68.89 -39.76 80.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.308 -0.406 . . . . 75.31 110.781 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -66.26 -38.46 87.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 75.13 110.964 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -75.96 -32.92 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.441 -0.345 . . . . 71.44 110.603 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -49.94 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.39 -0.368 . . . . 63.32 111.212 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.71 96.95 19.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.85 0.357 . . . . 74.13 110.806 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.81 -12.09 26.18 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.844 2.363 . . . . 74.32 112.166 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -96.8 10.24 39.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 73.54 110.93 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.08 133.16 52.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.969 0.414 . . . . 74.4 111.124 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.83 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 2.5 mp0 -81.31 114.56 20.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.891 -0.595 . . . . 74.04 109.938 174.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.7 mt -92.93 111.02 23.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.71 -0.677 . . . . 75.31 110.418 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 27.3 m -127.78 105.68 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.03 0.443 . . . . 60.33 111.291 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.1 m -83.37 128.21 38.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.21 0.529 . . . . 74.44 110.664 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 8.2 m -106.28 125.02 50.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.996 -0.547 . . . . 63.14 109.758 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 p -91.73 125.04 36.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.664 0.268 . . . . 51.11 111.039 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' HB3' ' H ' ' A' ' 30' ' ' VAL . 3.2 mm? -124.83 -160.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.291 -0.633 . . . . 71.35 109.291 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.41 ' H ' ' HB3' ' A' ' 29' ' ' LEU . 7.1 p -66.13 135.77 27.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.907 -0.405 . . . . 71.32 109.907 175.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.37 46.59 5.77 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 110.752 -0.939 . . . . 63.24 110.752 -174.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -47.45 -68.66 0.17 Allowed 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.638 0.775 . . . . 71.24 112.543 -172.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -79.8 17.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.039 -0.528 . . . . 73.15 112.332 -168.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -124.04 -35.33 2.85 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.75 -0.38 . . . . 61.41 111.101 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -156.99 115.6 3.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.177 0.513 . . . . 54.44 111.778 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -103.87 157.83 16.82 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.038 -0.727 . . . . 71.31 109.038 172.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 37.9 m -90.44 118.69 30.11 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.785 -0.82 . . . . 63.0 108.785 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 tp -99.46 110.94 27.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.686 0.755 . . . . 73.4 111.03 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 68.9 mttm -86.16 109.55 18.96 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.146 -0.934 . . . . 73.43 109.588 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -97.25 103.94 15.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.338 -0.986 . . . . 63.22 108.338 172.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.83 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 21.1 mm -97.29 103.79 15.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.685 -0.689 . . . . 73.31 109.692 -175.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.4 t -149.14 135.08 18.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.244 -0.434 . . . . 71.22 110.562 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.5 t -61.23 -16.41 44.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 73.12 110.469 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -74.18 -14.24 60.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.738 -0.665 . . . . 53.44 111.417 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -92.84 -10.99 34.78 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.883 0.373 . . . . 62.12 111.012 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -94.81 125.6 39.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 75.13 110.465 -175.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.16 -22.67 39.69 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.868 -0.682 . . . . 61.23 111.467 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -70.51 151.71 44.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.785 -0.45 . . . . 74.22 109.785 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.641 ' HB3' ' HG3' ' A' ' 52' ' ' GLU . 19.3 t -66.28 149.46 50.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.175 -0.305 . . . . 74.4 110.175 176.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -64.21 -31.12 72.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.151 -0.314 . . . . 71.43 110.151 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.54 -44.13 97.11 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.621 -0.511 . . . . 63.51 109.621 175.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.641 ' HG3' ' HB3' ' A' ' 49' ' ' SER . 44.3 mt-10 -61.57 -49.09 78.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.778 -0.646 . . . . 71.2 109.823 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.478 ' O ' HG12 ' A' ' 57' ' ' ILE . 35.5 mt-30 -54.47 -47.06 73.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.526 -0.761 . . . . 70.33 111.289 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -64.13 -43.07 96.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.574 -0.285 . . . . 75.33 111.009 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -66.77 -41.96 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 74.14 111.332 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.0 mtp -60.27 -50.29 74.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.415 -0.357 . . . . 75.15 110.217 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.737 ' HA ' HG22 ' A' ' 60' ' ' VAL . 39.1 mm -63.07 -38.0 80.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.186 0.517 . . . . 62.1 110.312 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.601 ' HD1' ' HB3' ' A' ' 65' ' ' ASN . 43.2 t80 -58.83 -38.51 78.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 75.23 110.416 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -85.88 -39.48 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.198 0.444 . . . . 73.42 112.198 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 57' ' ' ILE . 33.7 m -67.1 -35.58 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 120.478 -0.489 . . . . 74.32 111.249 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.8 mt -79.2 -27.48 42.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.279 -0.637 . . . . 70.44 109.279 173.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 t70 53.75 73.07 0.4 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.749 -1.114 . . . . 64.21 110.816 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.87 -162.7 29.25 Favored Glycine 0 N--CA 1.439 -1.124 0 N-CA-C 110.635 -0.986 . . . . 43.43 110.635 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.4 mt -90.48 96.42 10.64 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.006 0.431 . . . . 63.23 111.004 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.601 ' HB3' ' HD1' ' A' ' 58' ' ' TYR . 40.6 t30 -84.0 111.58 19.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.754 -0.657 . . . . 65.22 109.612 176.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.7 pt -99.27 -39.29 7.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.828 -0.624 . . . . 65.41 112.532 -172.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -149.77 149.28 30.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.049 -0.352 . . . . 73.33 110.049 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.42 66.42 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.326 0.584 . . . . 64.03 110.923 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.5 mm -105.61 -45.63 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.695 -0.684 . . . . 52.42 110.44 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -78.76 -35.47 44.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.745 -0.662 . . . . 62.22 110.907 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.4 tp -97.37 129.95 46.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.107 -0.497 . . . . 61.5 111.188 -174.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 86.2 mt-30 -125.67 116.67 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.531 -0.544 . . . . 75.12 109.531 174.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -114.44 127.68 55.95 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.256 -0.429 . . . . 71.51 111.256 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.64 125.24 4.62 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.764 -0.732 . . . . 44.31 111.857 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.42 ' HB3' HD12 ' A' ' 41' ' ' ILE . 14.5 p -83.27 115.62 22.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.022 0.439 . . . . 54.21 110.38 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? . . . . . 0 C--O 1.253 1.255 0 CA-C-N 115.642 -0.708 . . . . 72.44 109.679 -179.884 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo . . . . . 0 N--CA 1.477 0.528 0 N-CA-C 110.629 -0.566 . . . . 72.44 110.629 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -99.22 -144.27 16.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.827 -0.701 . . . . 35.53 112.463 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 m -77.73 91.97 4.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.137 0.494 . . . . 54.01 110.358 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 83.9 mtp -94.99 137.56 33.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.935 -0.575 . . . . 73.21 110.57 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -84.27 152.52 24.12 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.09 -0.505 . . . . 71.41 110.628 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -93.5 150.85 3.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.169 0.509 . . . . 75.41 111.22 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.7 p -96.79 167.3 11.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.64 -0.709 . . . . 72.04 110.683 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.97 -17.85 62.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 72.35 110.43 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 m -61.39 -38.32 86.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.029 -0.532 . . . . 75.12 110.587 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.34 -43.29 99.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 65.43 110.032 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.16 -46.94 78.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.461 -0.791 . . . . 71.13 110.583 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HA ' HD13 ' A' ' 24' ' ' ILE . 29.8 mt-10 -57.82 -51.15 70.76 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.513 -0.312 . . . . 74.31 111.023 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' HG ' ' OD1' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -56.14 -48.13 76.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.449 -0.341 . . . . 73.45 110.91 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.56 -51.25 65.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.99 0.424 . . . . 72.01 111.115 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' HB ' ' CD1' ' A' ' 24' ' ' ILE . 48.4 mm -67.94 -39.69 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.798 -0.637 . . . . 75.31 110.75 -178.242 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -72.54 -24.03 61.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 75.13 111.227 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HG ' ' A' ' 13' ' ' LEU . 11.0 m120 -81.58 -44.71 16.89 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.821 -0.437 . . . . 71.44 109.821 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.98 80.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.002 -0.544 . . . . 63.32 110.857 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' HE2' ' HB ' ' A' ' 60' ' ' VAL . 91.7 m-85 -126.23 95.33 39.12 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.398 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.01 -15.31 46.52 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.893 2.395 . . . . 74.32 111.617 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -88.42 -11.43 46.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.332 -0.849 . . . . 73.54 110.917 -177.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -96.06 129.44 43.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.366 0.506 . . . . 74.4 112.366 -170.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.615 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 60.7 mm-40 -88.77 124.8 34.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.558 -0.747 . . . . 74.04 109.345 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 12' ' ' GLU . 33.3 mt -94.13 110.75 24.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.442 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.552 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 15.6 m -109.64 105.79 15.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.839 0.352 . . . . 60.33 110.62 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.15 106.54 15.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.466 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.0 m -96.78 123.35 40.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 63.14 110.515 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.411 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 23.1 t -78.97 134.52 36.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.225 -0.443 . . . . 51.11 110.105 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 35' ' ' HIS . 62.5 mt -102.01 125.29 48.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.014 0.435 . . . . 71.35 110.251 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -65.88 167.43 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 71.32 112.16 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.05 -134.03 9.64 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.953 -0.641 . . . . 63.24 112.063 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -136.05 0.25 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.385 0.612 . . . . 71.24 110.407 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -100.48 146.6 26.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 73.15 109.966 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.94 80.0 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.208 -0.664 . . . . 61.41 109.208 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.623 ' HB3' HD12 ' A' ' 29' ' ' LEU . 1.4 m-70 -122.9 135.98 54.7 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.509 -0.769 . . . . 54.44 110.097 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.411 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 95.2 m-85 -132.28 159.08 40.17 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.909 -0.587 . . . . 71.31 110.085 177.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.2 m -118.54 119.31 34.14 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.058 -0.719 . . . . 63.0 109.058 171.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 pt -99.36 105.64 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.644 0.735 . . . . 73.4 109.981 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 39.2 ttpt -85.97 113.22 21.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.083 -0.962 . . . . 73.43 110.16 -177.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' HB1' ' A' ' 22' ' ' ALA . 45.8 t -91.99 107.09 18.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.288 -0.869 . . . . 63.22 110.184 -179.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.615 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 47.9 mm -94.89 103.9 15.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.334 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.447 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 37.2 t -157.35 130.96 7.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 71.22 110.698 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.3 t -66.28 -13.55 60.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 73.12 110.451 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -62.93 -26.45 68.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 53.44 110.739 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -89.11 -9.87 49.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.033 0.444 . . . . 62.12 110.812 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.42 137.57 32.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.291 -0.633 . . . . 75.13 109.291 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.43 -9.28 62.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.191 -0.528 . . . . 61.23 112.445 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 12.2 mptt -103.81 149.44 25.04 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.195 -0.298 . . . . 74.22 110.195 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.519 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 44.4 m -84.46 171.08 12.87 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.227 -0.286 . . . . 74.4 110.227 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -51.84 -46.09 64.23 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.724 0.638 . . . . 71.43 112.724 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.55 -47.47 85.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.825 0.345 . . . . 63.51 110.551 -176.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 44.2 mt-10 -58.72 -46.08 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 71.2 110.616 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 49' ' ' SER . 49.9 mt-30 -60.09 -47.29 86.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 70.33 110.807 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.15 -41.27 99.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.315 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 22.9 mtt180 -64.74 -37.19 86.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.505 -0.316 . . . . 74.14 111.469 178.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 74.1 mtm -65.63 -36.84 84.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.873 0.368 . . . . 75.15 110.122 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.794 HG23 HD13 ' A' ' 71' ' ' ILE . 86.3 mt -61.73 -41.48 90.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.971 -0.559 . . . . 62.1 110.209 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' A' ' 55' ' ' ARG . 23.8 m-85 -64.59 -35.06 79.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.638 177.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 55' ' ' ARG . 54.9 mtpt -65.09 -51.66 60.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 73.42 111.54 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.569 ' HB ' ' HE2' ' A' ' 19' ' ' PHE . 7.7 p -72.87 -36.47 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 74.32 112.116 -173.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 61' ' ' LEU . 2.2 tm? -89.43 -26.87 20.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.67 0.271 . . . . 70.44 110.559 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 57.05 70.16 0.68 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.343 0.592 . . . . 64.21 109.655 -171.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.5 -157.52 22.63 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.642 -0.789 . . . . 43.43 112.67 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -149.85 -164.66 2.07 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.195 -0.668 . . . . 63.23 109.195 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -70.22 83.2 0.54 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.636 0.731 . . . . 65.22 111.209 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 pt -104.78 177.64 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.699 -0.682 . . . . 65.41 110.711 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -135.21 -10.14 2.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 73.33 110.671 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.48 149.76 26.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.841 0.353 . . . . 64.03 110.948 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.3 mt -109.59 95.49 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.219 -0.446 . . . . 52.42 110.183 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -106.26 -13.86 15.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 62.22 110.979 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.794 HD13 HG23 ' A' ' 57' ' ' ILE . 17.4 tt -119.98 138.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.093 0.473 . . . . 61.5 111.18 -175.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 6.3 tp60 -133.49 148.87 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.703 -0.851 . . . . 75.12 108.703 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.4 p -120.54 141.62 50.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.12 0.486 . . . . 71.51 111.529 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.476 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -86.75 82.37 1.64 Allowed Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.226 -0.75 . . . . 44.31 111.226 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 39.2 m -116.39 136.43 53.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.848 -0.176 . . . . 54.21 110.994 -176.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.278 -0.867 . . . . 72.44 110.56 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo . . . . . 0 N--CA 1.479 0.62 0 N-CA-C 110.495 -0.617 . . . . 72.44 110.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.98 -102.1 1.13 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.807 -0.711 . . . . 35.53 111.504 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m -135.54 145.76 47.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.348 -0.241 . . . . 54.01 110.348 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.7 ttt -78.96 69.97 5.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.373 -0.602 . . . . 73.21 109.373 175.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -86.61 110.26 19.71 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.602 -0.726 . . . . 71.41 111.84 -175.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.53 132.78 34.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.654 -0.869 . . . . 75.41 108.654 172.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -87.93 158.64 18.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.98 -0.378 . . . . 72.04 109.98 -178.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -89.42 93.32 9.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.967 0.413 . . . . 72.35 109.911 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m -65.3 -26.26 67.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.635 -0.711 . . . . 75.12 110.892 -176.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -66.45 -40.84 89.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 65.43 110.297 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.6 -41.83 83.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.42 -0.585 . . . . 71.13 109.42 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.44 -41.17 98.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 74.31 110.372 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.09 -39.71 90.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 73.45 110.302 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 tp -60.37 -50.8 72.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.158 -0.474 . . . . 72.01 110.402 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.16 -35.43 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.643 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.478 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -68.4 -33.1 73.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.532 -178.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -81.17 -29.58 34.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.937 -0.305 . . . . 71.44 110.905 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.0 -55.3 5.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.374 . . . . 63.32 110.991 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -132.32 84.0 53.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.13 109.885 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.93 -43.52 6.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.812 2.342 . . . . 74.32 113.445 -173.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.52 -2.45 58.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.464 -0.335 . . . . 73.54 111.789 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.2 162.99 21.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.5 -0.318 . . . . 74.4 110.694 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.959 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 7.6 tp10 -74.98 103.73 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.698 -0.482 . . . . 74.04 109.698 176.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.99 110.83 23.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.86 -0.609 . . . . 75.31 110.073 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.9 m -132.33 123.59 27.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.334 -0.393 . . . . 60.33 110.593 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 m -93.15 120.61 42.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.106 0.479 . . . . 74.44 109.773 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.951 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 31.4 m -93.23 105.21 17.32 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.069 0.462 . . . . 63.14 110.059 -177.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -89.61 108.47 19.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.704 -0.68 . . . . 51.11 109.952 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 29' ' ' LEU . 2.5 pt? -128.44 -170.02 2.18 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.646 -0.707 . . . . 71.35 109.534 -178.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.96 96.43 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.929 0.871 . . . . 71.32 110.236 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.99 40.93 1.42 Allowed Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.101 -0.954 . . . . 63.24 111.112 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 60.01 20.18 9.29 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.055 0.542 . . . . 71.24 110.85 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.8 18.5 9.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.422 -0.808 . . . . 73.15 111.285 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -119.45 -55.32 2.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.381 -0.372 . . . . 61.41 110.959 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB3' HE22 ' A' ' 70' ' ' GLN . 5.0 m80 -99.79 123.2 43.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.004 0.43 . . . . 54.44 111.362 -177.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -116.09 163.7 15.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.593 -0.73 . . . . 71.31 109.402 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.951 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 28.4 m -86.46 139.08 31.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.961 0.41 . . . . 63.0 110.756 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.02 113.89 36.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.517 -0.549 . . . . 73.4 109.517 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -110.97 116.72 31.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.041 0.448 . . . . 73.43 110.413 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.49 107.58 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.943 -0.571 . . . . 63.22 110.056 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.959 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 49.7 mm -96.13 107.62 19.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.176 0.512 . . . . 73.31 110.188 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -141.98 147.8 37.54 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.711 -0.677 . . . . 71.22 109.857 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -63.91 -14.42 53.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.39 -0.368 . . . . 73.12 110.961 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.54 -15.29 61.77 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.894 0.378 . . . . 53.44 110.757 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HB3' ' CA ' ' A' ' 74' ' ' GLY . 60.2 m-85 -105.83 -10.56 16.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 62.12 111.009 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -87.64 133.15 33.87 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.922 0.391 . . . . 75.13 110.588 -173.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.96 12.95 83.0 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.982 -0.553 . . . . 61.23 112.7 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -93.68 143.11 26.61 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.853 -0.425 . . . . 74.22 109.853 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.8 m -79.63 170.89 15.89 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.581 -0.526 . . . . 74.4 109.581 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -53.43 -42.7 67.35 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.774 0.287 . . . . 71.43 111.774 -178.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.62 -56.1 24.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.674 0.274 . . . . 63.51 110.774 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -57.89 -43.68 86.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.935 -0.575 . . . . 71.2 111.462 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' O ' HG12 ' A' ' 57' ' ' ILE . 46.5 mt-30 -65.39 -43.58 90.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.618 -0.264 . . . . 70.33 111.138 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 13.1 m-70 -60.81 -41.48 95.77 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.844 -0.428 . . . . 75.33 109.844 178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.64 -46.06 91.73 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.7 -0.682 . . . . 74.14 111.111 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.4 mmm -62.03 -44.65 96.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.063 -0.517 . . . . 75.15 110.943 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.532 ' HA ' HG12 ' A' ' 60' ' ' VAL . 40.3 mm -68.12 -38.22 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 62.1 110.461 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.03 -31.78 72.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.117 0.484 . . . . 75.23 110.332 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 59' ' ' LYS . 38.3 ttmt -75.06 -46.64 33.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.789 -0.641 . . . . 73.42 110.931 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 57' ' ' ILE . 11.4 p -71.83 -38.53 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 120.647 0.26 . . . . 74.32 111.281 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HG ' HG13 ' A' ' 60' ' ' VAL . 90.8 mt -98.93 35.89 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.113 0.482 . . . . 70.44 110.362 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.11 140.43 52.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.35 -0.841 . . . . 64.21 111.729 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.88 -43.16 0.84 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.098 -0.801 . . . . 43.43 111.098 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.8 mt -139.68 175.29 9.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.395 -0.594 . . . . 63.23 109.395 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -78.85 78.4 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.679 -1.23 . . . . 65.22 107.679 171.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.409 HG21 ' HB2' ' A' ' 61' ' ' LEU . 6.3 tp -66.05 114.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.748 -1.114 . . . . 65.41 113.305 -166.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -77.04 90.02 3.59 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 107.365 -1.346 . . . . 73.33 107.365 165.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.1 120.19 14.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.597 -0.729 . . . . 64.03 112.134 -171.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.625 HG22 ' HG3' ' A' ' 70' ' ' GLN . 59.6 mt -123.9 146.56 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.509 -0.923 . . . . 52.42 108.509 173.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.625 ' HG3' HG22 ' A' ' 69' ' ' ILE . 97.0 mt-30 68.26 21.4 8.48 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.596 0.56 . . . . 62.22 110.848 -178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.2 tp -97.26 126.25 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.72 -0.673 . . . . 61.5 109.197 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -123.92 107.81 11.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.176 0.513 . . . . 75.12 109.685 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 p -155.81 145.1 20.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.365 -0.834 . . . . 71.51 110.669 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' A' ' 45' ' ' PHE . . . 66.67 -131.83 31.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.072 -0.585 . . . . 44.31 113.857 171.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 51.0 t -125.31 117.22 23.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.264 0.554 . . . . 54.21 111.203 -173.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? . . . . . 0 C--O 1.249 1.052 0 CA-C-N 115.444 -0.798 . . . . 72.44 109.445 176.759 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo . . . . . 0 N--CA 1.476 0.464 0 N-CA-C 110.261 -0.707 . . . . 72.44 110.261 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.71 152.08 18.15 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.642 -0.789 . . . . 35.53 112.57 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -137.3 133.25 34.76 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.555 -0.535 . . . . 54.01 109.555 177.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.0 mtp -103.79 71.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.838 0.351 . . . . 73.21 110.455 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 m -76.99 111.09 12.17 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.138 -0.483 . . . . 71.41 109.755 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.0 p -95.07 133.08 37.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.062 0.458 . . . . 75.41 110.723 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.06 176.8 6.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.555 . . . . 72.04 109.694 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -119.21 81.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.857 0.36 . . . . 72.35 110.388 -176.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -52.03 -52.87 48.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.734 0.642 . . . . 75.12 112.734 -172.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -70.89 -25.26 62.71 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.858 -0.337 . . . . 65.43 111.071 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.06 -50.94 24.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.132 -0.692 . . . . 71.13 109.132 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.513 ' HG3' HG21 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -51.27 -47.2 62.57 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.043 -0.526 . . . . 74.31 110.426 173.509 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.47 -47.48 83.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.671 -0.695 . . . . 73.45 110.671 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.74 -48.58 80.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.849 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.24 -41.22 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.38 . . . . 75.31 110.838 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -66.01 -30.98 71.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 75.13 111.06 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -80.42 -32.99 37.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.511 -0.313 . . . . 71.44 111.018 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.26 -47.44 43.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.134 0.493 . . . . 63.32 110.433 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -131.58 99.46 17.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.607 -0.724 . . . . 74.13 109.812 178.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.7 -26.76 45.49 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.63 2.22 . . . . 74.32 112.101 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -96.54 35.33 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.625 -0.716 . . . . 73.54 110.365 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.45 139.86 49.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 74.4 111.993 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.692 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 13.9 mm-40 -91.48 119.72 31.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.58 -0.736 . . . . 74.04 109.516 171.38 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.513 HG21 ' HG3' ' A' ' 12' ' ' GLU . 4.6 mp -99.92 110.98 28.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.816 0.341 . . . . 75.31 110.115 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.556 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 22.9 m -115.31 107.75 15.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.058 0.456 . . . . 60.33 111.049 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.7 t -84.05 107.77 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.865 -0.607 . . . . 74.44 109.64 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -109.27 142.68 39.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.38 0.61 . . . . 63.14 111.503 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 m -93.64 130.9 39.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.35 -0.841 . . . . 51.11 109.8 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.02 -36.75 75.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.568 -0.287 . . . . 71.35 111.032 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t 61.72 89.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.527 0.679 . . . . 71.32 109.785 -175.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.52 -41.24 1.57 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.181 -1.167 . . . . 63.24 110.181 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -117.47 102.41 9.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.411 -0.959 . . . . 71.24 108.411 169.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -112.55 17.31 19.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.792 0.329 . . . . 73.15 111.834 -173.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.33 -30.03 68.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.208 0.528 . . . . 61.41 110.347 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.39 163.88 32.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.592 -0.731 . . . . 54.44 109.361 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -105.77 153.38 21.96 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.371 -0.604 . . . . 71.31 109.371 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m -91.75 133.93 35.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.851 0.358 . . . . 63.0 110.703 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mm -99.61 107.27 20.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.087 -0.506 . . . . 73.4 109.886 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 54.0 mtpt -92.45 121.51 33.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.003 -0.544 . . . . 73.43 110.116 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.86 111.83 37.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.99 -0.55 . . . . 63.22 110.552 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.692 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 45.7 mm -105.52 98.62 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.621 -0.511 . . . . 73.31 109.621 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 27.2 t -131.94 141.98 49.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.107 0.48 . . . . 71.22 111.208 -178.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.3 m -66.53 -5.12 10.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.46 -0.791 . . . . 73.12 111.047 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -84.77 -6.45 59.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.282 -0.417 . . . . 53.44 111.235 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD2' ' HB3' ' A' ' 42' ' ' SER . 67.6 m-85 -102.92 8.46 39.11 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 111.973 0.36 . . . . 62.12 111.973 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -72.13 123.5 23.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.57 0.7 . . . . 75.13 111.099 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.4 9.37 86.58 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.437 -0.801 . . . . 61.23 113.118 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 3.7 mptp? -81.73 130.86 35.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.452 0.644 . . . . 74.22 111.034 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 22.8 p -85.0 163.84 18.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.834 -1.075 . . . . 74.4 109.831 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -59.08 -39.97 83.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 121.062 -0.255 . . . . 71.43 111.088 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.42 -49.14 78.77 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.174 0.512 . . . . 63.51 109.843 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' CD ' ' HG3' ' A' ' 48' ' ' LYS . 62.8 tt0 -59.62 -49.6 77.13 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.179 -0.919 . . . . 71.2 110.706 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 49' ' ' SER . 79.7 mt-30 -55.21 -47.6 75.07 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.998 -0.546 . . . . 70.33 110.745 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -60.41 -45.93 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 75.33 110.649 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -61.41 -42.86 99.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 111.627 0.232 . . . . 74.14 111.627 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 73.3 mtm -63.35 -46.84 84.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.543 0.211 . . . . 75.15 111.165 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 71' ' ' ILE . 82.7 mt -59.58 -47.27 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.182 0.515 . . . . 62.1 110.281 177.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -61.27 -32.49 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.573 -0.74 . . . . 75.23 110.944 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -75.1 -50.61 15.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.536 . . . . 73.42 111.261 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.11 -34.62 64.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.641 -0.254 . . . . 74.32 111.336 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -79.22 -38.89 34.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.685 -0.487 . . . . 70.44 109.685 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 50.55 75.35 0.18 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.496 -0.775 . . . . 64.21 111.347 -177.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 174.01 -162.5 33.12 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 110.343 -1.103 . . . . 43.43 110.343 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.92 114.75 26.4 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.955 0.407 . . . . 63.23 110.185 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -93.07 114.9 27.56 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.978 -0.555 . . . . 65.22 109.883 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.5 mm -63.23 138.87 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 65.41 109.683 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -72.1 84.26 1.0 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.08 0.467 . . . . 73.33 110.625 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.29 -173.5 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.206 -0.906 . . . . 64.03 109.259 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.8 mm -95.1 77.25 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.266 0.555 . . . . 52.42 111.35 -174.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -94.24 -45.2 7.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.681 0.753 . . . . 62.22 109.555 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.567 HG21 HD13 ' A' ' 57' ' ' ILE . 2.7 tp -114.46 126.04 71.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.933 -1.03 . . . . 61.5 110.169 -175.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.55 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 10.1 mm100 -127.0 120.41 28.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.968 0.413 . . . . 75.12 110.67 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 m -116.05 119.98 37.6 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.679 -0.489 . . . . 71.51 109.679 175.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.39 173.71 17.68 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.687 -0.768 . . . . 44.31 111.646 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 8.9 p -132.18 164.46 26.27 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.616 0.245 . . . . 54.21 110.93 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.621 -0.705 . . . . 72.44 110.152 177.994 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 N--CA 1.478 0.601 0 N-CA-C 110.483 -0.622 . . . . 72.44 110.483 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.82 85.42 0.08 OUTLIER Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.742 -0.742 . . . . 35.53 111.628 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -93.92 86.18 4.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.014 0.435 . . . . 54.01 111.702 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -78.61 -24.92 45.13 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.051 -0.722 . . . . 73.21 109.051 170.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -64.56 135.54 56.09 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.938 -1.028 . . . . 71.41 110.617 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p -86.83 138.34 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.364 -0.606 . . . . 75.41 109.364 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.446 HG22 HG21 ' A' ' 26' ' ' VAL . 38.0 p -98.33 159.07 15.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.14 0.495 . . . . 72.04 111.54 -175.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -99.82 99.84 10.7 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.796 -0.816 . . . . 72.35 108.796 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 t -55.16 -38.49 68.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.928 -1.033 . . . . 75.12 111.611 -171.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.35 -53.98 52.03 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.128 -0.229 . . . . 65.43 111.238 -177.028 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 12' ' ' GLU . 4.6 pp -71.62 -33.51 69.03 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.842 -0.343 . . . . 71.13 111.39 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.505 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.14 -49.66 69.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.103 0.478 . . . . 74.31 109.823 177.132 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.587 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 2.3 tt -60.34 -36.37 77.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.405 -0.816 . . . . 73.45 110.733 177.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.54 -50.89 72.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 72.01 110.203 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 11' ' ' LEU . 49.6 mm -62.71 -44.58 99.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.998 0.428 . . . . 75.31 110.534 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 tpt85 -64.15 -37.68 88.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 75.13 111.457 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.587 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 22.0 m-80 -80.83 -34.63 33.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.467 -0.333 . . . . 71.44 111.14 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -43.86 78.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.767 0.317 . . . . 63.32 110.354 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.16 104.86 16.48 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.527 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.2 -13.43 36.05 Favored 'Trans proline' 0 CA--C 1.528 0.199 0 C-N-CA 122.71 2.273 . . . . 74.32 111.954 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -98.97 16.57 22.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.716 -0.675 . . . . 73.54 110.198 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.9 129.64 51.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.961 -0.563 . . . . 74.4 111.714 -176.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.743 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 37.3 tt0 -100.0 117.63 34.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.289 -0.869 . . . . 74.04 109.038 172.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 24' ' ' ILE . 4.4 mp -96.23 110.69 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.963 -0.384 . . . . 75.31 109.963 -178.13 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 89.4 m -116.7 108.28 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.787 0.327 . . . . 60.33 110.505 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG21 HG22 ' A' ' 7' ' ' THR . 19.1 m -84.3 126.27 40.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.253 0.549 . . . . 74.44 110.449 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 17.1 m -121.68 122.71 40.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.89 -0.596 . . . . 63.14 111.055 -177.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.0 t -78.82 122.08 25.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.215 -0.661 . . . . 51.11 109.215 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 35' ' ' HIS . 10.7 mp -66.54 105.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 71.35 110.827 -177.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.36 134.14 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 71.32 110.785 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.14 -69.78 0.28 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.831 -0.699 . . . . 63.24 111.887 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.39 -40.78 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.668 0.27 . . . . 71.24 111.297 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.73 43.83 14.93 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.587 0.708 . . . . 73.15 109.294 -169.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -65.72 -25.93 67.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.395 -0.82 . . . . 61.41 110.612 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' O ' HD13 ' A' ' 29' ' ' LEU . 72.7 m80 -146.43 172.45 13.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.56 -0.904 . . . . 54.44 108.56 178.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.37 126.86 55.74 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.147 -0.686 . . . . 71.31 109.147 174.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.468 ' HB2' HD11 ' A' ' 29' ' ' LEU . 28.0 t -86.79 120.9 28.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.976 0.417 . . . . 63.0 110.149 -176.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 tt -100.06 105.61 17.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.592 0.711 . . . . 73.4 110.222 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.562 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 27.2 mtpp -85.9 109.56 18.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.472 -0.785 . . . . 73.43 109.227 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.541 ' HB ' HG22 ' A' ' 73' ' ' THR . 41.3 t -101.25 104.26 16.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.17 0.51 . . . . 63.22 109.937 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.743 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 48.6 mm -95.95 105.4 17.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.679 -0.691 . . . . 73.31 109.851 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 18.8 m -138.86 133.38 31.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.959 -0.564 . . . . 71.22 110.077 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 t -62.05 -19.97 63.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.725 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -23.83 67.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 53.44 111.201 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 75.0 m-85 -88.33 -5.03 58.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.561 0.219 . . . . 62.12 111.093 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -65.06 116.6 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 75.13 111.028 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.96 17.98 78.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.99 -0.624 . . . . 61.23 113.277 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.784 ' HE2' ' HG3' ' A' ' 52' ' ' GLU . 14.1 mmmm -89.9 142.3 27.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.055 0.427 . . . . 74.22 110.337 177.509 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.03 167.8 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.733 -0.667 . . . . 74.4 111.114 -179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -66.75 -31.11 71.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.404 . . . . 71.43 110.451 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.1 -39.47 94.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.314 0.578 . . . . 63.51 110.194 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.784 ' HG3' ' HE2' ' A' ' 48' ' ' LYS . 44.3 mm-40 -59.79 -44.9 93.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.152 -0.931 . . . . 71.2 109.87 176.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.05 -44.43 87.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.597 -0.729 . . . . 70.33 110.186 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -55.62 -51.58 66.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.649 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -56.49 -53.73 54.06 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.262 0.351 . . . . 74.14 111.12 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.2 mmm -57.07 -53.68 55.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.9 -0.591 . . . . 75.15 111.387 -175.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.557 HG23 HD13 ' A' ' 71' ' ' ILE . 71.0 mt -61.57 -45.75 98.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.467 -0.333 . . . . 62.1 111.014 -178.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.58 ' HE1' ' HA ' ' A' ' 66' ' ' ILE . 11.7 t80 -64.78 -31.67 73.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.957 -0.565 . . . . 75.23 111.308 -176.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.749 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -84.05 -44.13 14.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.565 -0.289 . . . . 73.42 111.569 -179.538 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.55 -49.25 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 74.32 111.098 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.42 ' CD2' HD12 ' A' ' 71' ' ' ILE . 4.6 mm? -87.58 24.3 1.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.217 0.532 . . . . 70.44 110.368 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.68 101.45 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.556 -0.747 . . . . 64.21 111.404 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.03 54.04 0.47 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 109.943 -1.263 . . . . 43.43 109.943 172.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt 67.48 15.2 9.8 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.396 0.617 . . . . 63.23 110.525 -171.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -95.64 97.27 9.61 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.691 -0.686 . . . . 65.22 109.721 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.58 ' HA ' ' HE1' ' A' ' 58' ' ' TYR . 57.3 mt -64.16 -34.12 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.766 -0.652 . . . . 65.41 110.596 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -150.55 101.93 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 73.33 110.36 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.84 135.67 37.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.237 -0.438 . . . . 64.03 110.276 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.0 pt -114.38 1.51 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.519 -0.309 . . . . 52.42 111.796 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.6 pm0 -103.5 4.29 35.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.048 0.452 . . . . 62.22 110.848 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.557 HD13 HG23 ' A' ' 57' ' ' ILE . 11.5 tt -105.61 139.56 26.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 61.5 111.438 -175.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.477 ' OE1' ' HG2' ' A' ' 39' ' ' LYS . 45.8 tt0 -127.57 108.62 10.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.72 -0.474 . . . . 75.12 109.72 172.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.541 HG22 ' HB ' ' A' ' 40' ' ' VAL . 14.6 p -115.17 132.97 56.44 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.248 -0.433 . . . . 71.51 110.768 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 164.49 -173.54 40.45 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.394 -0.907 . . . . 44.31 112.589 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 78.5 m -134.28 162.47 32.09 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.935 -0.394 . . . . 54.21 109.935 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 76' ' ' LYS . 9.9 mtpm? . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.837 -0.601 . . . . 72.44 109.429 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.479 0.669 0 N-CA-C 110.649 -0.558 . . . . 72.44 110.649 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.93 -133.42 6.59 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.751 -0.738 . . . . 35.53 111.875 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 t -115.13 159.65 20.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.784 0.326 . . . . 54.01 110.302 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 ptm -129.66 7.88 5.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.198 0.523 . . . . 73.21 109.826 177.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 m -71.87 113.78 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.638 -0.71 . . . . 71.41 110.202 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.7 m -89.62 165.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.964 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -111.26 158.42 19.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.115 -0.493 . . . . 72.04 109.948 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . 13.8 mm100 -86.87 73.87 9.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.836 -0.431 . . . . 72.35 109.836 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -66.88 -39.34 87.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.184 -0.462 . . . . 75.12 111.191 -174.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -68.43 -37.3 80.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.989 0.424 . . . . 65.43 110.3 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 8' ' ' GLN . 7.5 mp -71.91 -36.96 70.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.91 -0.586 . . . . 71.13 110.236 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.47 -50.05 75.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.353 -0.61 . . . . 74.31 109.353 174.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.79 -40.65 76.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.282 -0.872 . . . . 73.45 110.231 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.3 tp -58.84 -51.08 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.276 -0.42 . . . . 72.01 110.789 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mm -70.25 -43.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.998 -0.547 . . . . 75.31 110.894 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -65.34 -32.0 73.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.396 -0.366 . . . . 75.13 111.263 -178.303 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -80.63 -35.73 33.57 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.16 -0.337 . . . . 71.44 110.583 177.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -45.8 67.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.305 -0.407 . . . . 63.32 110.69 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.32 98.27 23.61 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.938 -0.574 . . . . 74.13 110.0 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.16 -10.38 27.21 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.657 2.238 . . . . 74.32 111.63 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -103.78 18.46 21.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.449 -0.796 . . . . 73.54 110.679 -178.153 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.53 139.89 49.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.499 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -98.54 147.01 25.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.188 0.518 . . . . 74.04 111.721 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 38' ' ' ILE . 3.8 mp -103.96 111.06 32.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.371 -0.831 . . . . 75.31 110.65 -177.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.436 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 17.2 m -106.5 105.52 15.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.157 -0.474 . . . . 60.33 110.079 177.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 38' ' ' ILE . 48.2 t -86.36 113.39 24.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.184 0.516 . . . . 74.44 110.886 -176.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.9 m -98.34 120.08 38.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.474 -0.784 . . . . 63.14 110.171 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p -89.44 111.91 22.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.993 0.425 . . . . 51.11 110.483 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 29' ' ' LEU . 2.9 mm? -88.28 77.84 8.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.935 -0.394 . . . . 71.35 109.935 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -81.71 90.21 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.24 0.543 . . . . 71.32 110.465 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' ASP . . . -147.26 74.86 0.28 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.476 -0.784 . . . . 63.24 111.671 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 3.8 m-20 71.22 7.92 6.26 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.232 0.613 . . . . 71.24 111.611 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' OD1' ' HB2' ' A' ' 35' ' ' HIS . 8.0 p30 -158.97 163.68 36.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.914 -0.402 . . . . 73.15 109.914 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -103.96 84.72 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.271 -0.422 . . . . 61.41 110.695 176.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' HB2' ' OD1' ' A' ' 33' ' ' ASN . 41.1 t-80 -112.09 128.85 56.32 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.523 -0.547 . . . . 54.44 109.523 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -116.92 127.39 54.2 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.768 0.318 . . . . 71.31 110.194 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.3 m -119.76 133.42 55.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.02 -0.536 . . . . 63.0 109.869 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 24' ' ' ILE . 53.4 mt -99.85 119.58 48.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.316 -0.402 . . . . 73.4 111.185 -177.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 28.7 mtpp -90.96 120.73 32.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.861 -0.608 . . . . 73.43 110.015 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.5 t -90.03 109.16 20.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.62 -0.718 . . . . 63.22 109.74 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -101.9 117.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.698 -0.683 . . . . 73.31 110.805 -176.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -161.05 144.99 13.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.731 -0.668 . . . . 71.22 109.617 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.5 m -66.21 -11.51 50.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 73.12 111.035 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -79.81 -13.03 59.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 53.44 110.566 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -95.67 -10.55 29.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.159 0.504 . . . . 62.12 110.005 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -75.98 130.99 39.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.459 -0.571 . . . . 75.13 109.459 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.12 -23.92 34.03 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.731 -0.747 . . . . 61.23 111.799 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.779 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.9 mmpt? -63.35 145.95 54.52 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.916 0.389 . . . . 74.22 110.727 173.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.4 m -80.35 156.5 26.71 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.136 -0.69 . . . . 74.4 109.136 171.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.91 -41.77 75.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.898 0.38 . . . . 71.43 110.467 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.76 -42.49 99.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.808 -0.633 . . . . 63.51 110.108 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.96 -52.7 63.24 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.88 0.372 . . . . 71.2 110.586 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.458 ' O ' HG12 ' A' ' 57' ' ' ILE . 79.9 mt-30 -59.87 -41.32 91.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.645 -0.707 . . . . 70.33 110.672 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -64.54 -40.2 95.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.329 -0.396 . . . . 75.33 111.232 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -66.58 -49.84 65.04 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.962 0.164 . . . . 74.14 111.288 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.7 ptm -62.38 -39.32 92.83 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.895 -0.322 . . . . 75.15 110.705 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 53' ' ' GLN . 34.9 mm -69.49 -43.19 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.378 . . . . 62.1 110.48 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -57.75 -37.17 73.17 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.822 -0.626 . . . . 75.23 110.66 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -79.82 -50.42 10.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.611 . . . . 73.42 111.328 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.54 -38.31 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.464 -0.335 . . . . 74.32 111.887 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.05 -2.61 38.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.798 -0.183 . . . . 70.44 111.2 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 58.18 29.69 18.31 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.369 0.604 . . . . 64.21 111.411 172.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.91 112.0 4.3 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.749 -0.738 . . . . 43.43 111.421 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 tt -100.5 114.04 27.32 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.867 -0.42 . . . . 63.23 109.867 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 t30 55.54 78.55 0.19 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.575 -0.738 . . . . 65.22 111.312 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tp -163.23 139.12 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.396 -0.82 . . . . 65.41 109.995 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -85.57 73.68 10.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.264 0.554 . . . . 73.33 110.259 176.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.81 77.78 6.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.684 -0.689 . . . . 64.03 110.808 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 pt -81.05 38.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.44 0.638 . . . . 52.42 110.772 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -89.26 -28.66 19.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.57 -0.741 . . . . 62.22 110.14 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.6 tt -122.65 129.08 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.048 -0.524 . . . . 61.5 110.818 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.586 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 9.1 mm100 -124.4 148.01 47.86 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.527 -0.76 . . . . 75.12 109.201 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 p -108.91 -174.3 2.48 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.901 -0.319 . . . . 71.51 111.179 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.26 96.72 2.09 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.674 -0.774 . . . . 44.31 111.585 176.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 65.4 m -80.73 154.51 27.21 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.059 -0.349 . . . . 54.21 110.059 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.275 -0.869 . . . . 72.44 111.137 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo . . . . . 0 N--CA 1.478 0.616 0 N-CA-C 110.542 -0.599 . . . . 72.44 110.542 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.09 80.12 0.83 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.614 -0.803 . . . . 35.53 112.064 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 p -102.89 149.85 24.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.781 0.324 . . . . 54.01 110.701 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.8 ptp -76.28 -20.9 56.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.544 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 p -76.02 110.27 10.36 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.975 -0.557 . . . . 71.41 110.855 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -104.89 137.14 35.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.96 -0.564 . . . . 75.41 110.979 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.527 HG21 HG21 ' A' ' 26' ' ' VAL . 14.6 t -113.07 179.56 3.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 72.04 109.49 176.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.532 ' HG3' ' H ' ' A' ' 11' ' ' LEU . 6.1 tp-100 -64.01 112.28 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.959 -0.386 . . . . 72.35 109.959 176.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -57.06 -34.42 68.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.748 -0.66 . . . . 75.12 111.387 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.63 -37.35 84.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 65.43 110.571 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.532 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 3.0 tt -70.84 -42.0 70.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.382 -0.599 . . . . 71.13 109.382 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -58.22 -48.61 79.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.693 -0.685 . . . . 74.31 109.649 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.07 -38.25 82.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.435 -0.802 . . . . 73.45 110.915 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.99 -47.66 83.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.481 . . . . 72.01 109.882 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.73 -39.97 87.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.575 -0.284 . . . . 75.31 110.545 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.49 -35.59 78.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.337 . . . . 75.13 111.197 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -76.46 -33.52 58.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.801 0.334 . . . . 71.44 110.949 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.0 -48.42 53.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.054 0.454 . . . . 63.32 110.16 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -135.34 97.2 13.36 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.898 -0.592 . . . . 74.13 109.538 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.91 -20.42 51.42 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.642 2.228 . . . . 74.32 112.912 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.86 15.63 27.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.937 0.398 . . . . 73.54 110.759 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -95.79 129.4 43.03 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.103 -0.499 . . . . 74.4 109.998 175.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -88.86 126.67 35.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.996 -0.547 . . . . 74.04 109.718 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.17 110.97 21.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.794 -0.639 . . . . 75.31 110.39 -177.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.46 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 8.0 m -113.23 105.41 13.39 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.734 -0.386 . . . . 60.33 110.423 174.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 7' ' ' THR . 52.3 t -98.06 106.73 19.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.04 0.448 . . . . 74.44 109.902 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -110.18 147.74 33.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.879 -0.6 . . . . 63.14 110.571 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -96.44 137.67 35.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.903 -0.59 . . . . 51.11 109.689 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 32' ' ' ASP . 8.6 mp -68.29 138.59 55.6 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.985 -0.376 . . . . 71.35 109.985 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -63.36 91.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.593 0.711 . . . . 71.32 111.486 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.24 -11.7 10.61 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.844 -0.616 . . . . 63.24 112.103 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.544 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -121.03 103.43 9.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.721 0.296 . . . . 71.24 110.709 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -86.29 -14.17 44.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.035 0.445 . . . . 73.15 110.351 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -88.7 -45.94 9.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.897 -0.592 . . . . 61.41 110.229 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -85.05 126.26 33.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.095 -0.502 . . . . 54.44 110.566 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -118.22 152.92 34.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.825 -0.435 . . . . 71.31 109.825 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.8 m -119.98 129.42 54.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.686 -0.487 . . . . 63.0 109.686 175.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.32 102.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.6 0.714 . . . . 73.4 109.957 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 27.8 ttpp -89.43 109.89 20.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.094 -0.957 . . . . 73.43 110.083 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' A' ' 22' ' ' ALA . 97.2 t -96.92 125.43 49.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.619 -0.718 . . . . 63.22 110.639 -177.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.586 HD11 ' SG ' ' A' ' 75' ' ' CYS . 25.9 mt -111.52 131.48 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.811 0.338 . . . . 73.31 110.898 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 35.2 t -162.78 148.38 12.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.701 -0.681 . . . . 71.22 109.393 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -56.83 -32.7 66.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 73.12 111.157 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -67.91 -14.52 63.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.538 -0.301 . . . . 53.44 111.402 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.535 ' CD2' ' HB3' ' A' ' 42' ' ' SER . 58.4 m-85 -96.81 -7.17 34.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 62.12 110.758 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -87.49 131.82 34.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 75.13 110.366 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.96 -22.83 38.81 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.124 -0.56 . . . . 61.23 111.928 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -79.03 148.68 32.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.616 0.246 . . . . 74.22 110.447 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.2 m -87.18 158.75 19.07 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.1 -0.704 . . . . 74.4 109.1 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -52.24 -37.74 56.12 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.38 0.511 . . . . 71.43 112.38 -176.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -49.77 76.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.857 -0.423 . . . . 63.51 109.857 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -57.12 -45.76 83.2 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.885 -0.598 . . . . 71.2 110.123 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' O ' HG12 ' A' ' 57' ' ' ILE . 24.2 mm-40 -54.75 -47.5 73.78 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.119 -0.946 . . . . 70.33 110.637 177.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -63.86 -36.89 85.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.665 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 87.2 mtt180 -62.59 -54.85 33.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.731 0.3 . . . . 74.14 111.089 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.2 ptm -68.46 -33.86 74.94 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.581 -0.448 . . . . 75.15 110.837 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.448 ' HA ' HG12 ' A' ' 60' ' ' VAL . 27.5 mm -66.87 -41.44 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.778 0.323 . . . . 62.1 110.341 175.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -66.73 -31.83 72.74 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.995 -0.282 . . . . 75.23 110.874 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 55' ' ' ARG . 30.1 mmmt -80.06 -27.37 39.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.452 -0.499 . . . . 73.42 111.666 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 57' ' ' ILE . 9.3 p -81.03 -23.56 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.368 0.604 . . . . 74.32 110.2 173.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.1 33.72 3.97 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.992 -0.744 . . . . 70.44 108.992 174.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -68.44 130.49 43.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.145 -0.934 . . . . 64.21 112.125 -171.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.65 -25.92 4.96 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.764 -0.653 . . . . 43.43 112.3 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.5 mt -100.94 -163.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.607 0.241 . . . . 63.23 110.708 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -70.8 155.0 41.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 65.22 110.636 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 mt -80.91 -3.98 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.047 -0.524 . . . . 65.41 111.529 -174.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -80.83 85.09 6.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.312 0.577 . . . . 73.33 110.753 -177.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.81 93.7 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.695 -0.684 . . . . 64.03 110.908 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.8 tt -121.53 -20.61 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.719 -0.673 . . . . 52.42 110.497 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.47 -23.41 61.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.878 -0.601 . . . . 62.22 110.218 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.0 tt -136.41 134.68 49.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.34 -0.845 . . . . 61.5 109.111 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.571 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -140.59 163.35 33.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.771 -0.455 . . . . 75.12 109.771 -173.497 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 40' ' ' VAL . 14.5 p -135.07 149.53 50.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.857 0.361 . . . . 71.51 111.18 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.21 137.3 5.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.962 -0.637 . . . . 44.31 112.132 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' CYS . . . . . 0.586 ' SG ' HD11 ' A' ' 41' ' ' ILE . 55.8 m -109.95 141.32 42.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.065 0.46 . . . . 54.21 111.531 -177.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.482 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 17.3 ptmt . . . . . 0 C--O 1.244 0.78 0 N-CA-C 109.199 -0.667 . . . . 72.44 109.199 172.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 N--CA 1.475 0.418 0 N-CA-C 110.0 -0.808 . . . . 72.44 110.0 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.82 97.06 0.61 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.782 -0.723 . . . . 35.53 111.992 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 5' ' ' THR . 61.2 p 49.11 -90.55 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.269 1.028 . . . . 54.01 112.834 -178.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.6 mtt 70.66 -14.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.678 0.791 . . . . 73.21 111.981 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 3' ' ' SER . 8.6 m -67.97 110.26 3.82 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.525 -0.546 . . . . 71.41 109.525 173.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.453 HG13 ' HB2' ' A' ' 9' ' ' SER . 11.0 p -113.95 140.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.222 0.534 . . . . 75.41 111.479 -172.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.46 ' O ' ' HB3' ' A' ' 8' ' ' GLN . 2.9 m -79.74 159.51 26.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.618 -0.719 . . . . 72.04 109.604 177.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.46 ' HB3' ' O ' ' A' ' 7' ' ' THR . 35.0 tt0 75.83 1.64 3.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.088 0.47 . . . . 72.35 111.234 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB2' HG13 ' A' ' 6' ' ' VAL . 9.6 t -64.74 -40.09 94.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.494 -0.321 . . . . 75.12 110.523 -178.315 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -66.3 -38.68 88.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.395 -0.366 . . . . 65.43 110.293 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.526 HD11 HG21 ' A' ' 38' ' ' ILE . 3.4 tm? -61.36 -49.45 76.89 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.139 -0.482 . . . . 71.13 109.784 176.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -58.88 -45.5 90.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.617 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -56.59 -47.99 78.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.02 -0.536 . . . . 73.45 110.172 176.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.17 -50.98 71.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.924 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -63.66 -43.08 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 75.31 111.097 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -29.22 63.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.823 0.344 . . . . 75.13 110.741 -177.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -78.85 -28.44 44.25 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.832 -0.347 . . . . 71.44 110.186 178.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.33 -46.53 22.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.303 -0.408 . . . . 63.32 110.747 175.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' HZ ' HG11 ' A' ' 60' ' ' VAL . 54.1 m-85 -114.62 98.42 49.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 74.13 110.249 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -76.23 -10.83 19.34 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 122.549 2.166 . . . . 74.32 113.41 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.65 30.56 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.105 0.478 . . . . 73.54 110.453 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -113.27 139.28 48.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.102 -0.499 . . . . 74.4 112.175 -176.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -100.66 120.01 39.43 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.389 -0.967 . . . . 74.04 108.389 167.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 mt -88.73 110.49 21.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.082 -0.508 . . . . 75.31 110.883 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 33.1 m -109.67 105.58 14.9 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.71 -0.478 . . . . 60.33 109.71 176.29 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.5 m -86.87 128.24 39.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.237 0.541 . . . . 74.44 110.596 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.795 HG23 ' HB2' ' A' ' 37' ' ' SER . 2.0 t -111.22 119.31 38.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.525 0.679 . . . . 63.14 110.334 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.5 m -94.27 127.29 40.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.067 -0.97 . . . . 51.11 110.411 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mp -88.31 152.65 21.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.187 -0.46 . . . . 71.35 109.964 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.75 132.98 19.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.156 0.503 . . . . 71.32 111.209 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 33' ' ' ASN . . . 120.53 -50.62 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.88 -0.676 . . . . 63.24 112.259 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 69.99 -18.31 0.23 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.344 0.657 . . . . 71.24 112.496 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 31' ' ' GLY . 26.9 t-20 -68.14 -31.03 70.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.146 0.498 . . . . 73.15 110.055 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -82.32 -177.99 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.493 -0.776 . . . . 61.41 109.844 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -86.44 172.33 10.45 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 121.003 -0.279 . . . . 54.44 110.508 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -103.85 163.45 12.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.277 -0.42 . . . . 71.31 110.094 -176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.795 ' HB2' HG23 ' A' ' 27' ' ' THR . 35.8 m -108.94 145.16 35.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.882 0.372 . . . . 63.0 110.24 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.526 HG21 HD11 ' A' ' 11' ' ' LEU . 20.2 pt -107.46 114.15 45.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.344 0.592 . . . . 73.4 111.069 -177.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 54.7 tttm -97.38 108.36 21.07 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.649 -0.871 . . . . 73.43 108.649 175.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' HB ' HG22 ' A' ' 73' ' ' THR . 54.0 t -105.36 116.52 49.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.953 -0.567 . . . . 63.22 110.659 -174.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 45.3 mm -94.73 108.41 20.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.998 -0.546 . . . . 73.31 110.242 178.394 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.485 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 15.0 m -137.63 145.61 42.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.078 -0.51 . . . . 71.22 109.923 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -59.52 -25.48 64.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.334 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -76.28 -13.15 60.17 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.342 -0.39 . . . . 53.44 111.563 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 53.5 m-85 -103.84 -6.66 21.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 62.12 111.475 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -71.48 116.51 11.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.088 0.47 . . . . 75.13 111.041 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.62 18.22 66.52 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.662 -0.699 . . . . 61.23 112.793 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -95.88 139.63 31.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.04 0.447 . . . . 74.22 111.404 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.4 m -83.55 172.68 12.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.541 -0.754 . . . . 74.4 109.974 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -64.5 -31.98 73.42 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 112.146 0.425 . . . . 71.43 112.146 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.02 -47.27 85.5 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.248 -0.649 . . . . 63.51 109.248 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.43 -42.08 99.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.189 -0.914 . . . . 71.2 110.019 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' O ' HG12 ' A' ' 57' ' ' ILE . 82.3 mm-40 -58.11 -45.82 86.62 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.919 -0.582 . . . . 70.33 110.444 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -54.66 -52.33 62.68 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.423 -0.353 . . . . 75.33 110.398 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -54.67 -54.42 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 74.14 110.944 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.8 mmm -61.34 -53.55 55.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.658 -0.701 . . . . 75.15 111.38 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 53' ' ' GLN . 33.7 mm -61.45 -48.79 87.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.559 -0.291 . . . . 62.1 111.231 -176.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -68.29 -32.15 72.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.605 -0.438 . . . . 75.23 111.628 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 25.5 mmtm -80.73 -32.01 35.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.473 0.545 . . . . 73.42 112.473 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.554 HG11 ' HZ ' ' A' ' 19' ' ' PHE . 9.9 p -81.06 -31.07 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.646 -0.421 . . . . 74.32 110.871 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -86.33 -13.26 47.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.137 -0.32 . . . . 70.44 110.137 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 73.28 -56.32 0.66 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.163 0.915 . . . . 64.21 112.02 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -91.67 112.66 4.21 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 115.192 -0.913 . . . . 43.43 112.224 -176.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.776 ' H ' HD23 ' A' ' 64' ' ' LEU . 2.2 pt? -77.54 2.96 14.78 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.919 0.39 . . . . 63.23 110.689 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -74.59 -18.33 60.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 65.22 111.034 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG12 ' H ' ' A' ' 68' ' ' ALA . 14.5 tt -62.24 146.9 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 65.41 110.991 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -52.95 -36.84 60.44 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.145 -0.48 . . . . 73.33 111.651 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' O ' HG22 ' A' ' 71' ' ' ILE . . . 70.05 -30.48 0.2 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.563 1.32 . . . . 64.03 114.563 169.346 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 69' ' ' ILE . 11.3 tt -72.94 23.54 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.514 0.673 . . . . 52.42 112.515 -173.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -129.07 16.75 6.18 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.626 -0.671 . . . . 62.22 110.899 179.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 68' ' ' ALA . 3.0 tp -97.28 125.23 50.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.095 -0.502 . . . . 61.5 109.824 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 41.5 mt-30 -123.29 108.19 12.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.088 0.471 . . . . 75.12 109.733 173.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.472 HG22 ' HB ' ' A' ' 40' ' ' VAL . 1.6 p -135.47 141.07 45.3 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.85 -0.614 . . . . 71.51 110.583 -176.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.95 -134.65 6.49 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.121 -1.037 . . . . 44.31 112.961 177.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 38.9 t -102.72 148.35 25.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.941 0.401 . . . . 54.21 111.55 -172.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.2 tptt . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.326 -0.845 . . . . 72.44 109.556 175.954 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 N--CA 1.478 0.603 0 N-CA-C 110.536 -0.601 . . . . 72.44 110.536 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.53 89.25 0.51 Allowed Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.702 -0.761 . . . . 35.53 112.642 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 t -62.39 -57.45 11.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.193 -0.669 . . . . 54.01 109.193 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.3 mtt -89.05 120.54 30.55 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.156 -0.683 . . . . 73.21 109.156 171.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -70.29 137.59 50.85 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.427 -0.351 . . . . 71.41 110.922 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 p -86.78 142.05 13.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.955 -0.566 . . . . 75.41 109.562 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -83.94 158.71 21.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.225 -0.287 . . . . 72.04 110.225 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.33 111.4 23.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.757 -0.46 . . . . 72.35 109.757 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -52.06 -52.34 51.75 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.411 -0.813 . . . . 75.12 112.005 -173.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.03 -50.22 74.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.734 0.302 . . . . 65.43 111.732 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.75 -45.97 84.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.929 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HG3' HG21 ' A' ' 24' ' ' ILE . 21.8 tt0 -67.0 -44.01 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.828 0.346 . . . . 74.31 110.24 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.51 -38.65 72.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.568 . . . . 73.45 110.383 177.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.25 -49.29 78.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 72.01 110.176 178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.7 mt -66.89 -38.93 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.008 -0.542 . . . . 75.31 110.745 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 16' ' ' ARG . 10.0 mmm180 -62.64 -36.6 83.35 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.883 0.373 . . . . 75.13 111.408 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -75.59 -41.26 55.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 71.44 110.953 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.89 -52.57 23.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 63.32 111.187 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -137.45 93.1 12.94 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 74.13 109.753 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.26 -26.94 71.91 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.463 2.109 . . . . 74.32 111.898 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.96 11.97 32.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.709 -0.678 . . . . 73.54 111.368 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.23 143.08 29.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.499 -0.319 . . . . 74.4 110.722 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.738 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 40.5 tt0 -81.35 110.58 16.93 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.955 -0.387 . . . . 74.04 109.955 177.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.427 HG21 ' HG3' ' A' ' 12' ' ' GLU . 53.8 mt -101.04 110.88 29.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.097 -0.502 . . . . 75.31 109.956 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.8 m -123.41 112.8 17.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.102 0.477 . . . . 60.33 110.569 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 m -83.18 114.33 23.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.204 0.526 . . . . 74.44 110.06 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.802 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 21.0 m -93.84 105.59 17.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.031 -0.531 . . . . 63.14 109.942 -177.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -91.63 101.09 13.71 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.429 -0.805 . . . . 51.11 110.402 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 29' ' ' LEU . 2.7 pt? -137.7 142.13 41.06 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.939 -0.763 . . . . 71.35 108.939 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -167.73 114.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.516 0.674 . . . . 71.32 111.608 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.39 -53.24 0.46 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 109.526 -1.43 . . . . 63.24 109.526 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -95.14 149.12 21.64 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.103 -1.073 . . . . 71.24 108.103 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -64.07 101.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.111 0.482 . . . . 73.15 111.728 -174.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -145.31 -169.43 3.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.818 -0.808 . . . . 61.41 108.818 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -89.82 -176.67 5.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.274 -0.269 . . . . 54.44 110.274 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -103.52 168.17 9.33 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.135 -0.321 . . . . 71.31 110.135 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.802 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 8.2 t -101.39 130.05 47.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.022 0.439 . . . . 63.0 110.945 -173.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.1 mt -100.07 104.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.067 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.671 ' HD3' HG12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -93.7 112.89 24.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.694 -0.484 . . . . 73.43 109.694 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -118.85 113.26 41.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.065 -0.516 . . . . 63.22 110.55 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.738 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 44.3 mm -100.16 111.55 30.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.16 0.505 . . . . 73.31 110.07 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -143.29 126.55 16.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.542 -0.754 . . . . 71.22 109.55 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 m -65.28 -9.55 25.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.087 0.47 . . . . 73.12 111.55 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -88.37 -1.42 58.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.24 -0.436 . . . . 53.44 111.577 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.82 -11.28 59.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.237 0.541 . . . . 62.12 110.023 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -98.77 143.75 28.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.416 -0.811 . . . . 75.13 109.573 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.71 -6.23 60.5 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.617 -0.801 . . . . 61.23 112.169 -177.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -101.39 141.71 33.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.713 -0.477 . . . . 74.22 109.713 173.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -60.75 157.69 14.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.898 -0.592 . . . . 74.4 111.329 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 14.0 ttmm -54.39 -45.05 72.8 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.853 -0.612 . . . . 71.43 110.26 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.53 -42.72 97.08 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.723 -0.671 . . . . 63.51 111.317 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -66.15 -38.46 88.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.135 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -60.97 -47.55 85.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 70.33 109.928 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' HIS . . . . . 0.408 ' CE1' ' HG2' ' A' ' 50' ' ' LYS . 38.4 m80 -63.47 -33.81 76.39 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.282 -0.417 . . . . 75.33 110.383 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -50.25 69.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.776 -0.647 . . . . 74.14 110.716 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.8 ptm -70.23 -33.6 71.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.505 -0.316 . . . . 75.15 110.889 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.87 -43.25 98.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.203 0.525 . . . . 62.1 109.741 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -61.39 -36.67 80.93 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.678 -0.692 . . . . 75.23 110.984 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -68.71 -46.57 68.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.348 0.499 . . . . 73.42 112.348 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG13 ' HG ' ' A' ' 61' ' ' LEU . 11.1 p -74.85 -36.3 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 112.179 0.437 . . . . 74.32 112.179 -173.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.653 HD11 ' HB ' ' A' ' 71' ' ' ILE . 70.1 mt -106.19 -19.53 13.68 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.324 0.49 . . . . 70.44 112.324 -176.241 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 55.45 74.64 0.36 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.569 0.699 . . . . 64.21 109.511 -170.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.03 92.49 0.31 Allowed Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.378 -0.915 . . . . 43.43 113.228 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.7 mt -82.64 -2.79 54.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.671 0.748 . . . . 63.23 109.222 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.53 106.61 18.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.776 -1.102 . . . . 65.22 108.783 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 pt -72.72 86.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.497 0.665 . . . . 65.41 112.252 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -147.57 97.42 2.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.463 -0.789 . . . . 73.33 110.301 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.06 72.83 5.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.294 0.569 . . . . 64.03 111.029 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.0 tp -127.08 -33.19 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.657 -0.701 . . . . 52.42 110.337 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -79.29 -14.47 59.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.381 0.61 . . . . 62.22 110.254 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.653 ' HB ' HD11 ' A' ' 61' ' ' LEU . 8.0 tp -127.69 134.1 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.792 -0.64 . . . . 61.5 109.922 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . 6.2 tp-100 -127.86 108.56 10.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.215 0.531 . . . . 75.12 110.299 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 p -141.9 119.93 12.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.495 -0.775 . . . . 71.51 109.979 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.66 -176.93 47.53 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.746 -0.74 . . . . 44.31 111.85 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 51.4 t -127.15 122.49 34.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.845 0.355 . . . . 54.21 110.477 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.3 tptt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.348 -0.834 . . . . 72.44 109.834 -179.446 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.45 -0.464 0 N-CA-C 108.88 -0.785 . . . . 72.04 108.88 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 59.07 28.18 17.37 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.416 0.627 . . . . 72.35 109.749 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -38.99 83.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.027 -0.988 . . . . 75.12 111.648 -176.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -65.48 -35.21 80.2 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.126 -0.23 . . . . 65.43 110.57 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 38' ' ' ILE . 3.4 mm? -67.41 -48.81 66.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.367 . . . . 71.13 110.227 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.522 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -59.06 -54.35 48.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.607 -0.724 . . . . 74.31 109.627 178.037 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.08 -43.2 99.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.331 -0.849 . . . . 73.45 111.979 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.83 -50.83 71.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.625 0.25 . . . . 72.01 111.173 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.405 HD12 HD11 ' A' ' 38' ' ' ILE . 56.5 mt -72.29 -35.5 52.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.427 -0.351 . . . . 75.31 110.711 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -63.86 -38.15 90.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.021 0.438 . . . . 75.13 110.812 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -83.6 -32.65 25.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.435 . . . . 71.44 111.329 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.91 -47.18 66.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 63.32 110.316 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -124.9 101.88 32.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.546 -0.538 . . . . 74.13 109.546 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -62.09 -26.27 78.04 Favored 'Trans proline' 0 CA--C 1.526 0.08 0 C-N-CA 122.791 2.327 . . . . 74.32 112.321 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -96.57 15.98 20.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 73.54 110.951 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.63 131.81 46.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.379 . . . . 74.4 111.09 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.597 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 10.1 tp10 -97.96 114.87 27.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.762 -0.653 . . . . 74.04 109.491 175.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' A' ' 12' ' ' GLU . 3.4 mp -88.29 111.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.058 0.456 . . . . 75.31 109.889 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.494 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 32.1 m -110.34 124.18 51.21 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.748 -0.464 . . . . 60.33 109.748 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 m -83.12 120.74 34.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.162 0.505 . . . . 74.44 110.268 177.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 19.2 m -93.46 105.18 17.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.252 0.548 . . . . 63.14 109.733 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.9 p -108.57 117.9 35.39 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.596 -0.729 . . . . 51.11 110.976 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.15 135.94 44.74 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.435 -0.95 . . . . 71.35 108.435 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.28 87.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.219 0.533 . . . . 71.32 110.688 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.68 118.25 0.9 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.19 -0.914 . . . . 63.24 111.262 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.9 76.21 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.265 0.555 . . . . 71.24 111.441 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.55 -43.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.296 -0.865 . . . . 73.15 109.412 175.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -89.6 157.51 18.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.371 -0.832 . . . . 61.41 110.757 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -75.31 154.86 37.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 54.44 109.967 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -103.76 134.95 46.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.272 -0.422 . . . . 71.31 110.237 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.568 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 12.7 m -91.66 165.5 13.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.84 -0.618 . . . . 63.0 110.714 -172.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.405 HD11 HD12 ' A' ' 15' ' ' ILE . 17.5 tt -118.23 126.73 75.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.623 -0.51 . . . . 73.4 109.623 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.494 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 76.5 tttt -108.45 116.99 33.01 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.957 -0.565 . . . . 73.43 110.149 -175.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.08 104.98 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.092 -0.503 . . . . 63.22 110.737 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.597 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 45.0 mm -98.25 96.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.487 -0.56 . . . . 73.31 109.487 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.4 t -140.08 134.74 31.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.114 0.483 . . . . 71.22 111.06 -176.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 p -63.07 -18.71 63.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.546 -0.752 . . . . 73.12 111.408 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.38 -23.08 67.16 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.849 0.357 . . . . 53.44 110.727 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -101.35 -4.14 27.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 62.12 111.099 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.435 HE21 ' HB2' ' A' ' 46' ' ' GLN . 6.4 tt0 -84.81 136.57 33.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.07 0.462 . . . . 75.13 110.521 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.09 -28.18 15.81 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.8 -0.92 . . . . 61.23 110.8 -174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.778 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.2 mmpt? -72.55 139.35 47.46 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.466 -0.367 . . . . 74.22 110.507 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.9 m -74.9 166.7 23.21 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.442 -0.577 . . . . 74.4 109.442 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HG3' HD22 ' A' ' 51' ' ' LEU . 17.9 ptpt -56.59 -35.37 68.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.944 -0.302 . . . . 71.43 111.379 -177.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.581 ' H ' HD22 ' A' ' 51' ' ' LEU . 2.3 mm? -64.25 -45.17 89.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 63.51 109.989 -178.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 46.3 mt-10 -61.67 -45.61 93.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.61 -0.723 . . . . 71.2 110.098 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 57' ' ' ILE . 89.0 mt-30 -61.69 -43.5 98.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 70.33 110.849 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -58.8 -46.43 87.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.666 0.27 . . . . 75.33 110.385 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -60.34 -41.53 93.8 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.341 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 93.3 mmm -66.61 -34.49 78.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 120.709 -0.397 . . . . 75.15 110.359 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 53' ' ' GLN . 73.7 mt -62.42 -42.62 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.594 -0.521 . . . . 62.1 109.594 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -61.68 -31.79 71.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.064 -0.517 . . . . 75.23 111.062 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' HB3' ' NZ ' ' A' ' 59' ' ' LYS . 3.6 mmmp? -65.47 -57.16 8.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.76 0.314 . . . . 73.42 110.871 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.443 HG13 ' CD2' ' A' ' 61' ' ' LEU . 6.6 p -69.9 -38.68 76.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 116.412 -0.358 . . . . 74.32 111.649 -175.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.443 ' CD2' HG13 ' A' ' 60' ' ' VAL . 3.8 mm? -101.65 37.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.593 0.235 . . . . 70.44 110.97 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.46 -14.17 38.18 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.306 0.484 . . . . 64.21 112.306 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.92 -16.29 76.45 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.942 -0.647 . . . . 43.43 112.792 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -137.19 147.45 45.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 63.23 110.509 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.439 HD22 ' HA ' ' A' ' 65' ' ' ASN . 10.0 m120 . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.142 0.496 . . . . 65.22 110.029 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.2 mm . . . . . 0 C--O 1.234 0.274 0 CA-C-O 121.167 0.508 . . . . 52.42 110.71 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -129.67 -41.53 1.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.675 -0.693 . . . . 62.22 109.792 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 tt -113.44 121.51 65.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.511 -0.768 . . . . 61.5 110.274 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 68.8 mt-30 -111.55 125.73 54.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 75.12 110.295 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 m -100.06 162.58 12.89 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.837 -0.62 . . . . 71.51 110.204 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 121.055 -0.593 . . . . 44.31 112.436 177.453 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.504 0.192 . . . . 72.04 111.446 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.465 ' HA ' HE22 ' A' ' 10' ' ' GLN . 95.0 mt-30 67.3 23.17 9.38 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.764 -0.653 . . . . 72.35 111.932 174.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -66.1 -32.2 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.99 0.424 . . . . 75.12 110.281 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.465 HE22 ' HA ' ' A' ' 8' ' ' GLN . 5.4 pm0 -72.5 -27.22 62.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.129 -0.487 . . . . 65.43 110.007 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -71.67 -46.19 59.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.967 -0.753 . . . . 71.13 108.967 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.416 ' OE2' ' HD3' ' A' ' 16' ' ' ARG . 3.1 tm-20 -57.9 -53.77 54.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.448 -0.796 . . . . 74.31 109.356 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.85 -40.86 76.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.509 -0.769 . . . . 73.45 111.221 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.1 tp -56.86 -50.9 71.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.612 -0.267 . . . . 72.01 110.823 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.726 HG22 HG12 ' A' ' 24' ' ' ILE . 42.6 mm -70.95 -37.88 69.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.871 0.367 . . . . 75.31 110.336 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HD2' HD13 ' A' ' 24' ' ' ILE . 1.2 tpt180 -64.53 -35.55 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 75.13 111.057 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.43 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -83.79 -33.62 24.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.01 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -43.02 71.94 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.374 -0.376 . . . . 63.32 110.548 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -127.81 80.45 72.01 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 74.13 110.339 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.41 -10.86 19.03 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.359 2.039 . . . . 74.32 111.86 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -99.63 30.49 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.603 -0.726 . . . . 73.54 109.508 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 42' ' ' SER . . . -137.61 155.96 48.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.757 -0.656 . . . . 74.4 111.145 -177.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 1.1 mm-40 -94.5 99.01 11.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.885 -0.598 . . . . 74.04 109.741 172.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.726 HG12 HG22 ' A' ' 15' ' ' ILE . 3.5 mp -88.15 117.45 31.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.752 -0.658 . . . . 75.31 110.424 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 24.9 m -117.73 121.54 41.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 60.33 109.956 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.9 107.6 21.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.392 . . . . 74.44 110.419 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 17.0 m -101.83 138.36 38.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.053 -0.522 . . . . 63.14 110.652 -178.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -93.83 123.47 37.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.284 -0.265 . . . . 51.11 110.284 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 8.7 mp -113.18 116.38 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.955 0.407 . . . . 71.35 111.051 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -101.13 97.4 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.351 0.596 . . . . 71.32 110.409 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.44 -148.04 4.99 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.736 -0.745 . . . . 63.24 111.794 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.18 -51.92 67.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.963 0.411 . . . . 71.24 110.767 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -117.35 131.1 56.85 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.967 -0.753 . . . . 73.15 108.967 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -83.22 97.83 9.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.603 0.716 . . . . 61.41 111.123 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 4.1 m-70 -127.58 155.45 43.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.261 -0.881 . . . . 54.44 109.564 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -103.87 140.63 37.4 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.534 -0.543 . . . . 71.31 109.534 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.731 ' HA ' ' HG3' ' A' ' 70' ' ' GLN . 16.8 t -89.26 124.01 34.0 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.937 -0.394 . . . . 63.0 109.937 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.71 99.58 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.109 -0.7 . . . . 73.4 109.109 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 51.9 mtpt -95.46 111.83 23.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.052 -0.522 . . . . 73.43 109.642 -178.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.1 t -113.56 104.31 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.99 -0.55 . . . . 63.22 110.176 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.456 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 40.4 mm -95.84 111.55 26.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.02 -0.536 . . . . 73.31 110.304 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.475 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . 32.5 t -158.56 142.57 15.52 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.383 -0.371 . . . . 71.22 110.757 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.506 ' HA ' ' HB3' ' A' ' 46' ' ' GLN . 49.6 m -68.81 -5.84 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 73.12 111.37 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -75.79 -18.16 59.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 53.44 110.296 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -104.9 -10.63 17.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.616 0.722 . . . . 62.12 109.579 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 62.6 tt0 -83.62 124.36 30.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.087 -0.96 . . . . 75.13 109.785 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.98 -23.49 35.81 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.653 -0.784 . . . . 61.23 111.439 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -76.4 144.79 39.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.093 -0.336 . . . . 74.22 110.093 175.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 t -70.12 155.92 39.93 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.872 -0.418 . . . . 74.4 109.872 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -52.56 -47.09 67.01 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.45 -0.341 . . . . 71.43 111.176 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.58 -43.27 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.184 -0.462 . . . . 63.51 110.537 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.09 -50.21 73.48 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.97 0.414 . . . . 71.2 110.479 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 57' ' ' ILE . 73.3 mt-30 -57.61 -47.65 81.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.389 -0.823 . . . . 70.33 110.705 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.412 ' HA ' HD12 ' A' ' 57' ' ' ILE . 29.7 m170 -65.8 -37.73 87.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 75.33 110.791 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 55' ' ' ARG . 47.1 mtp180 -58.58 -49.39 77.64 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.332 -0.395 . . . . 74.14 110.567 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 75.2 mtm -61.49 -42.27 98.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 75.15 111.018 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.688 HD13 HG21 ' A' ' 71' ' ' ILE . 37.4 mt -62.52 -46.38 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.198 0.523 . . . . 62.1 110.216 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -63.19 -31.88 73.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 75.23 111.099 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -81.04 -43.27 19.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.533 -0.303 . . . . 73.42 111.711 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 57' ' ' ILE . 9.8 p -70.43 -32.97 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.973 0.416 . . . . 74.32 110.909 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -86.83 -16.68 35.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.369 . . . . 70.44 110.511 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.97 22.9 13.07 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.724 -0.671 . . . . 64.21 111.751 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.59 -128.31 3.45 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.958 -0.639 . . . . 43.43 111.724 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp 66.94 11.07 8.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.988 0.515 . . . . 63.23 111.238 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 . . . . . 0 C--N 1.322 -0.618 0 CA-C-O 120.965 0.412 . . . . 65.22 110.387 179.247 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' A' ' 71' ' ' ILE . 31.7 mt . . . . . 0 C--O 1.233 0.199 0 CA-C-O 120.764 0.316 . . . . 52.42 110.199 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.731 ' HG3' ' HA ' ' A' ' 37' ' ' SER . 5.8 tp-100 70.18 27.6 4.16 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.939 0.876 . . . . 62.22 109.987 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.688 HG21 HD13 ' A' ' 57' ' ' ILE . 17.1 tt -98.64 132.27 44.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.123 -0.944 . . . . 61.5 110.328 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -110.86 108.54 18.38 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.11 -0.7 . . . . 75.12 109.11 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 71' ' ' ILE . 3.3 p -106.67 120.13 41.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.189 0.519 . . . . 71.51 111.935 -176.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.6 0 C-N-CA 120.841 -0.695 . . . . 44.31 112.906 176.088 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.472 ' HB ' HG13 ' A' ' 26' ' ' VAL . 10.4 t . . . . . 0 N--CA 1.449 -0.502 0 N-CA-C 109.405 -0.591 . . . . 72.04 109.405 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -61.57 124.73 21.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.056 0.455 . . . . 72.35 110.095 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 p -52.01 -43.22 63.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.062 -0.972 . . . . 75.12 111.886 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.47 -46.69 81.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 65.43 111.5 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 38' ' ' ILE . 88.5 mt -62.33 -46.35 89.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 71.13 110.824 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.01 -54.05 46.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.817 -0.629 . . . . 74.31 110.156 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -42.91 82.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.592 -0.731 . . . . 73.45 111.135 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.72 -50.81 69.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.092 -0.504 . . . . 72.01 110.726 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.1 mm -66.84 -39.05 82.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.138 -0.483 . . . . 75.31 111.0 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -67.39 -39.27 85.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.642 -0.254 . . . . 75.13 111.481 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -78.85 -39.19 36.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.676 -0.238 . . . . 71.44 111.47 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.04 -37.69 69.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 63.32 110.779 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.4 84.31 63.59 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 74.13 110.823 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.09 -19.79 44.81 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.393 2.062 . . . . 74.32 111.176 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -93.38 12.19 25.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.197 -0.91 . . . . 73.54 110.678 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.85 148.38 32.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 74.4 111.24 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 8.7 tp10 -97.03 114.82 26.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.654 -0.703 . . . . 74.04 109.748 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.7 mt -93.48 110.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.801 0.334 . . . . 75.31 110.119 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 8.7 m -104.0 120.72 41.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.288 -0.414 . . . . 60.33 109.948 176.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.472 HG13 ' HB ' ' A' ' 7' ' ' THR . 59.7 t -82.98 115.67 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.047 0.451 . . . . 74.44 110.223 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.675 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 21.5 m -107.9 120.02 41.1 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.859 -0.61 . . . . 63.14 110.223 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -78.24 103.76 8.39 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.427 -0.806 . . . . 51.11 109.863 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.0 tp -66.27 111.43 3.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.32 -0.854 . . . . 71.35 110.231 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.92 129.33 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.856 -0.611 . . . . 71.32 110.483 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.64 -11.66 4.29 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.865 -0.894 . . . . 63.24 110.865 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 61.57 90.15 0.07 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.289 0.636 . . . . 71.24 111.163 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -159.62 150.68 19.59 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.826 -0.805 . . . . 73.15 108.826 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -64.3 -16.76 62.77 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.352 0.596 . . . . 61.41 110.538 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -85.1 103.18 13.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.493 -0.558 . . . . 54.44 109.493 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -109.78 174.33 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.578 -0.283 . . . . 71.31 110.429 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.675 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 19.9 m -103.33 120.97 41.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.966 0.412 . . . . 63.0 110.959 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 70' ' ' GLN . 26.7 pt -101.18 117.59 46.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.254 0.549 . . . . 73.4 110.289 173.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 53.4 mtmt -89.37 108.73 19.8 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.713 -0.477 . . . . 73.43 109.713 176.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -95.24 104.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.216 -0.902 . . . . 63.22 109.96 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.603 HG12 ' HA3' ' A' ' 74' ' ' GLY . 42.4 mt -102.8 136.0 37.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.949 -0.569 . . . . 73.31 110.185 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.5 t -162.29 147.67 12.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.827 -0.624 . . . . 71.22 110.301 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 p -63.14 -19.03 64.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.852 -0.613 . . . . 73.12 110.992 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.79 -16.77 62.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.334 -0.394 . . . . 53.44 110.968 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -96.79 7.0 47.59 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.095 0.474 . . . . 62.12 110.423 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -85.26 131.94 34.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.999 -0.546 . . . . 75.13 109.837 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.54 -2.77 76.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.976 -0.63 . . . . 61.23 112.793 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -90.79 152.83 20.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.866 0.365 . . . . 74.22 110.547 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 p -82.58 144.49 30.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.852 -0.613 . . . . 74.4 110.567 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -58.09 -34.49 70.21 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.265 -0.425 . . . . 71.43 111.632 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.3 mt -55.36 -53.84 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.51 110.792 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.06 -44.08 78.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.664 -0.698 . . . . 71.2 111.396 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.48 ' O ' HG13 ' A' ' 57' ' ' ILE . 70.4 mt-30 -61.54 -47.25 86.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 70.33 111.069 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -64.17 -40.19 95.6 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.992 -0.373 . . . . 75.33 109.992 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -56.83 -48.33 78.29 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.978 -0.555 . . . . 74.14 110.941 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 90.5 mtp -62.13 -38.52 89.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.679 -0.691 . . . . 75.15 110.249 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 53' ' ' GLN . 67.6 mt -58.96 -52.3 62.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 62.1 110.912 176.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -58.8 -38.39 78.48 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.081 0.467 . . . . 75.23 110.622 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 59' ' ' LYS . 36.6 ttpt -64.21 -49.26 72.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.706 -0.679 . . . . 73.42 111.487 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.4 t -81.97 -43.19 19.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.449 -0.341 . . . . 74.32 111.875 -174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 4.2 mm? -79.9 -23.8 41.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.73 0.271 . . . . 70.44 111.73 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' A' ' 61' ' ' LEU . 6.8 t70 75.38 -47.56 0.6 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.371 0.668 . . . . 64.21 112.053 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.98 95.88 0.5 Allowed Glycine 0 C--N 1.311 -0.828 0 CA-C-N 115.356 -0.838 . . . . 43.43 112.403 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.436 ' HG ' ' H ' ' A' ' 64' ' ' LEU . 2.0 pp -86.47 12.99 9.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.201 0.524 . . . . 63.23 111.03 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 65.22 109.456 176.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.2 mm . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.872 0.367 . . . . 52.42 110.061 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' HG12 ' A' ' 38' ' ' ILE . 27.3 mt-30 -82.24 -30.63 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.075 -0.511 . . . . 62.22 111.332 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.8 tt -137.13 132.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.116 0.484 . . . . 61.5 111.17 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 51.1 tt0 -126.11 125.05 41.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.575 -0.739 . . . . 75.12 109.435 176.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -88.44 134.92 33.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.825 0.345 . . . . 71.51 111.585 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.603 ' HA3' HG12 ' A' ' 41' ' ' ILE . . . . . . . . 0 N--CA 1.45 -0.385 0 C-N-CA 120.765 -0.731 . . . . 44.31 111.618 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.449 -0.513 0 N-CA-C 110.299 -0.26 . . . . 72.04 110.299 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 63.84 24.58 13.79 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.312 0.383 . . . . 72.35 111.762 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 m -60.74 -32.3 71.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.408 -0.36 . . . . 75.12 111.079 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -66.7 -32.98 74.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 65.43 110.363 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.33 -44.22 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.103 -0.703 . . . . 71.13 109.103 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -54.38 -51.66 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.588 -0.733 . . . . 74.31 110.275 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.5 -40.12 90.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 73.45 111.331 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.99 -46.4 89.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 72.01 110.852 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.457 ' HB ' HD13 ' A' ' 24' ' ' ILE . 61.3 mt -66.15 -35.75 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.549 -0.296 . . . . 75.31 110.626 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 24' ' ' ILE . 12.0 mmm180 -68.17 -29.27 68.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.607 0.241 . . . . 75.13 111.558 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -74.73 -41.82 59.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.737 0.304 . . . . 71.44 110.569 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.29 -53.28 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.466 . . . . 63.32 110.986 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -118.86 90.62 41.09 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.029 -0.532 . . . . 74.13 109.716 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.31 -1.03 11.01 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.937 2.425 . . . . 74.32 113.087 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -117.73 13.3 14.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.104 0.478 . . . . 73.54 110.412 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 42' ' ' SER . . . -97.24 133.43 41.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.904 -0.589 . . . . 74.4 111.575 -176.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 42.4 mt-10 -85.53 111.9 20.44 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.084 -0.71 . . . . 74.04 109.084 172.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.457 HD13 ' HB ' ' A' ' 15' ' ' ILE . 22.6 mt -91.55 129.87 41.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.946 -0.57 . . . . 75.31 110.254 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 33.9 m -135.37 105.32 6.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.0 0.429 . . . . 60.33 110.132 172.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.81 119.47 36.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.565 0.697 . . . . 74.44 110.018 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.903 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 21.0 m -95.87 105.47 17.49 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.501 -0.772 . . . . 63.14 110.319 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -83.46 106.03 14.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.892 -0.595 . . . . 51.11 110.556 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.39 107.89 3.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.484 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -67.06 140.42 19.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 71.32 110.216 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.62 -58.25 0.41 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.395 -0.682 . . . . 63.24 111.395 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -148.03 117.39 6.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.958 0.408 . . . . 71.24 109.936 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.0 36.01 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.919 -0.582 . . . . 73.15 111.672 -172.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -68.01 -16.61 64.12 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.026 0.441 . . . . 61.41 110.577 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -149.57 142.81 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 54.44 110.679 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -120.61 127.18 51.87 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.69 -0.856 . . . . 71.31 108.69 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.903 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 20.7 m -76.48 118.44 19.15 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.224 -0.59 . . . . 63.0 109.681 -178.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -99.95 100.03 9.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.943 0.401 . . . . 73.4 110.064 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 87.9 tttt -92.62 110.86 22.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.673 . . . . 73.43 110.099 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -111.18 105.87 19.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.004 -0.544 . . . . 63.22 110.448 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.468 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 50.3 mm -101.71 105.31 17.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.165 -0.471 . . . . 73.31 109.888 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.422 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . 45.5 t -144.02 147.63 34.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.412 -0.358 . . . . 71.22 110.804 -177.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 m -65.23 -15.86 62.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.324 0.583 . . . . 73.12 110.19 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.84 -4.84 37.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.733 . . . . 53.44 110.774 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -116.53 9.28 14.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 62.12 110.335 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -117.15 136.67 52.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.535 . . . . 75.13 110.172 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.21 -2.29 37.03 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.023 -0.608 . . . . 61.23 112.504 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.6 mmpt? -78.34 -178.87 5.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.129 0.49 . . . . 74.22 111.143 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 m -104.49 144.33 31.81 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.509 -0.552 . . . . 74.4 109.509 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -52.32 -38.61 58.99 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.354 0.409 . . . . 71.43 111.821 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.14 -49.37 71.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.406 -0.361 . . . . 63.51 110.742 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -57.78 -45.53 85.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.59 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -61.56 -47.39 85.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.742 -0.663 . . . . 70.33 111.148 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -59.56 -46.41 88.99 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.879 -0.415 . . . . 75.33 109.879 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -57.19 -50.03 74.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.779 -0.646 . . . . 74.14 111.49 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 73.1 mtm -62.81 -49.49 74.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 75.15 111.321 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.511 HG23 HD13 ' A' ' 71' ' ' ILE . 60.2 mt -64.46 -39.09 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.065 0.459 . . . . 62.1 110.355 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -65.29 -31.91 73.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 75.23 110.517 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 46.6 tptt -78.67 -39.54 36.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.31 -0.405 . . . . 73.42 111.266 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 57' ' ' ILE . 32.3 m -73.92 -27.75 22.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.429 -0.508 . . . . 74.32 110.644 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 61' ' ' LEU . 3.8 mm? -90.74 27.32 1.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 70.44 110.546 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.84 -34.57 76.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 64.21 110.983 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.33 50.74 1.43 Allowed Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.423 -0.808 . . . . 43.43 111.672 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.2 152.36 41.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.05 0.452 . . . . 63.23 110.979 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--N 1.32 -0.682 0 CA-C-N 115.875 -0.602 . . . . 65.22 109.57 179.787 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.1 pt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.887 0.375 . . . . 52.42 110.281 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -145.78 28.69 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 62.22 111.791 -172.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.511 HD13 HG23 ' A' ' 57' ' ' ILE . 17.5 tt -101.56 127.21 55.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.182 0.515 . . . . 61.5 111.153 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 39' ' ' LYS . 93.3 mt-30 -120.11 117.5 28.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.944 -0.571 . . . . 75.12 109.875 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.0 p -119.48 148.2 43.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.822 0.344 . . . . 71.51 111.299 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.828 -0.701 . . . . 44.31 111.498 176.491 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.916 -0.402 . . . . 72.04 109.916 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -80.09 66.16 5.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.762 -0.458 . . . . 72.35 109.762 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 m -52.52 -39.27 61.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.301 -0.409 . . . . 75.12 111.834 -173.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.88 -34.13 71.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 65.43 111.074 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -72.09 -48.45 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.605 -0.27 . . . . 71.13 110.386 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.54 -37.56 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 74.31 110.438 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.18 -45.78 93.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.419 -0.355 . . . . 73.45 110.058 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.92 -48.62 75.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 72.01 110.051 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.563 HD11 HD12 ' A' ' 38' ' ' ILE . 64.2 mt -61.64 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.036 -0.529 . . . . 75.31 110.713 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -64.61 -39.63 94.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 75.13 111.106 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -71.57 -29.92 65.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 71.44 110.347 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.33 -48.6 15.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 63.32 111.041 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -129.19 92.59 38.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.447 -0.342 . . . . 74.13 110.618 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.48 -13.82 30.46 Favored 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.464 2.109 . . . . 74.32 111.972 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -98.3 6.94 46.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.625 -0.716 . . . . 73.54 110.936 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.96 134.5 41.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.223 -0.444 . . . . 74.4 111.546 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.06 105.95 13.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.841 -0.618 . . . . 74.04 109.807 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.0 mt -88.61 115.56 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.712 -0.676 . . . . 75.31 110.184 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.543 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 16.0 m -120.35 105.31 10.78 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.056 0.455 . . . . 60.33 110.405 176.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.52 126.32 40.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.155 0.502 . . . . 74.44 110.19 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 m -120.34 118.09 29.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.05 -0.523 . . . . 63.14 110.264 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 p -94.46 100.8 12.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.044 -0.525 . . . . 51.11 110.372 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 3.2 mm? -78.51 86.45 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.112 0.482 . . . . 71.35 110.401 -178.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.37 124.74 40.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.547 -0.752 . . . . 71.32 110.26 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.78 -99.53 0.17 Allowed Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.914 -0.875 . . . . 63.24 110.914 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.73 -67.15 0.87 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.121 -0.696 . . . . 71.24 109.121 173.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -100.13 115.44 29.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.784 -0.821 . . . . 73.15 108.784 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.82 109.88 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.19 0.519 . . . . 61.41 111.652 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.4 p80 -122.48 140.63 52.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.035 -0.728 . . . . 54.44 109.035 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -112.24 149.69 31.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.971 0.415 . . . . 71.31 110.867 -172.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -134.48 119.24 18.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.921 -0.581 . . . . 63.0 110.433 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.563 HD12 HD11 ' A' ' 15' ' ' ILE . 14.0 pt -99.55 109.74 25.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.288 0.566 . . . . 73.4 110.236 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 83.0 tttt -86.27 117.88 25.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.563 -0.744 . . . . 73.43 109.977 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.91 109.14 27.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.369 -0.378 . . . . 63.22 110.244 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.3 mt -102.42 129.2 54.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.792 -0.363 . . . . 73.31 110.286 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 t -158.22 146.47 18.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.013 -0.54 . . . . 71.22 110.24 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.602 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 17.8 m -64.12 -11.07 26.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 73.12 111.317 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -69.31 -27.29 65.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 53.44 110.54 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -88.72 -10.56 47.94 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.164 0.431 . . . . 62.12 112.164 -174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 43' ' ' SER . 3.2 pt20 -64.29 143.79 57.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.643 0.259 . . . . 75.13 110.311 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.41 -24.44 25.45 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.739 -0.743 . . . . 61.23 112.326 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -93.05 133.47 36.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.998 0.428 . . . . 74.22 110.239 -179.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.6 m -71.51 165.12 24.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.333 -0.849 . . . . 74.4 111.333 -174.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.402 ' HE2' ' HB3' ' A' ' 50' ' ' LYS . 55.6 mtpt -55.33 -40.62 71.42 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.134 -0.484 . . . . 71.43 110.873 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.477 ' H ' HD22 ' A' ' 51' ' ' LEU . 3.3 mm? -55.14 -49.8 70.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.594 . . . . 63.51 110.174 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -63.73 -41.42 98.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.741 -0.663 . . . . 71.2 110.785 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.577 ' O ' HG13 ' A' ' 57' ' ' ILE . 67.2 mt-30 -56.69 -47.72 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 70.33 111.134 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.452 ' HA ' HD12 ' A' ' 57' ' ' ILE . 30.1 m80 -72.5 -36.44 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 75.33 110.096 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -60.55 -44.68 95.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 74.14 110.527 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.487 ' CE ' ' HA ' ' A' ' 53' ' ' GLN . 73.0 mtm -61.82 -42.7 99.35 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.095 -0.502 . . . . 75.15 110.339 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.699 HG23 HG12 ' A' ' 71' ' ' ILE . 93.9 mt -55.0 -53.19 36.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.625 0.25 . . . . 62.1 110.752 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -62.15 -36.58 82.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 75.23 111.283 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -77.55 -36.47 52.2 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.092 0.405 . . . . 73.42 112.092 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.3 t -73.32 -41.6 57.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.688 0.28 . . . . 74.32 110.745 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 70' ' ' GLN . 56.7 mt -69.03 -29.75 67.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.535 -0.302 . . . . 70.44 110.369 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 t70 58.5 76.65 0.33 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.403 -0.817 . . . . 64.21 110.681 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.15 -154.78 25.85 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 110.509 -1.036 . . . . 43.43 110.509 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -110.5 -80.41 0.58 Allowed 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 110.276 -0.268 . . . . 63.23 110.276 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 N--CA 1.467 0.379 0 CA-C-N 115.94 -0.573 . . . . 65.22 110.896 -177.387 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.3 mt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.427 -0.583 . . . . 52.42 109.427 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.44 ' HB3' HD11 ' A' ' 61' ' ' LEU . 24.1 tp60 -65.9 -47.55 74.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.329 -0.396 . . . . 62.22 111.102 -175.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.699 HG12 HG23 ' A' ' 57' ' ' ILE . 9.5 pt -123.32 139.58 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.699 -0.482 . . . . 61.5 109.699 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 40.2 mt-30 -114.01 108.41 16.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.421 -0.585 . . . . 75.12 109.421 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -119.7 119.99 35.29 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.513 -0.312 . . . . 71.51 110.694 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 C-N-CA 120.87 -0.681 . . . . 44.31 112.709 177.824 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.449 -0.52 0 N-CA-C 109.777 -0.453 . . . . 72.04 109.777 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -95.22 128.33 41.97 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.127 -0.694 . . . . 72.35 109.127 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m -59.2 -48.59 81.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.395 -0.366 . . . . 75.12 111.281 -174.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.54 -44.84 89.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.58 0.229 . . . . 65.43 111.216 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.67 -48.08 80.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 71.13 110.708 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.11 -54.01 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 74.31 110.435 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.81 -39.18 73.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.013 -0.994 . . . . 73.45 111.066 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.93 -50.73 69.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.5 . . . . 72.01 110.766 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mt -71.99 -34.75 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.982 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -68.3 -35.7 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 75.13 110.811 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -78.19 -31.4 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 71.44 110.571 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.17 -45.99 68.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 63.32 110.706 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -126.96 89.05 53.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.064 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -63.5 -45.02 12.44 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.17 2.58 . . . . 74.32 113.401 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.76 27.35 2.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.222 0.534 . . . . 73.54 111.026 -178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.42 146.71 46.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.791 -0.64 . . . . 74.4 110.011 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -100.19 120.08 39.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.356 0.598 . . . . 74.04 111.688 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 24' ' ' ILE . 4.1 mp -88.38 110.89 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.402 -0.817 . . . . 75.31 109.098 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 12.8 m -109.57 114.5 28.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.441 -0.345 . . . . 60.33 110.857 -177.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.7 t -82.56 112.07 19.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.516 -0.92 . . . . 74.44 108.516 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.826 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 29.5 m -93.43 106.35 18.33 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.555 -0.748 . . . . 63.14 111.018 -171.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.492 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 17.9 t -86.23 111.0 20.0 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.186 -0.915 . . . . 51.11 109.611 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 mt -87.48 -172.93 4.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.091 -0.707 . . . . 71.35 109.091 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.64 135.44 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.592 -0.892 . . . . 71.32 108.592 171.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.62 55.72 2.08 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.353 -0.451 . . . . 63.24 113.957 -172.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -114.21 -9.67 12.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.477 -0.564 . . . . 71.24 109.477 172.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -105.1 134.75 47.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.447 -0.797 . . . . 73.15 109.258 174.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -67.33 -39.41 85.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.283 0.563 . . . . 61.41 110.635 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -101.07 143.71 30.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.724 -0.671 . . . . 54.44 109.52 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 92.9 m-85 -103.33 172.42 6.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.095 -0.335 . . . . 71.31 110.095 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.826 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 53.4 m -89.61 149.91 22.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.15 0.5 . . . . 63.0 111.259 -173.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.3 pt -115.23 111.86 37.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.864 -0.607 . . . . 73.4 110.1 176.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 3.4 ttmp? -103.7 110.26 22.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.639 -0.504 . . . . 73.43 109.639 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 t -99.15 104.35 15.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.811 -0.631 . . . . 63.22 109.888 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.9 mm -86.81 99.1 7.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.273 0.559 . . . . 73.31 109.538 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 m -142.31 138.83 31.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.387 -0.824 . . . . 71.22 110.354 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.6 m -66.73 -13.01 60.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.253 0.549 . . . . 73.12 110.401 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -72.67 -10.51 59.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.853 -0.612 . . . . 53.44 110.621 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.457 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 67.0 m-85 -113.59 13.63 18.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 62.12 111.045 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -121.73 116.44 24.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.813 0.339 . . . . 75.13 111.081 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.06 21.88 50.88 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.927 -0.654 . . . . 61.23 112.711 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -104.48 -171.26 1.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.021 -0.363 . . . . 74.22 110.021 -178.163 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.624 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 44.9 m -85.47 137.17 33.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.728 -0.215 . . . . 74.4 110.912 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 50' ' ' LYS . 45.8 mtmt -56.83 -48.81 77.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.494 -0.321 . . . . 71.43 111.504 -178.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.09 -42.31 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.49 -0.323 . . . . 63.51 110.456 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 56' ' ' MET . 41.6 tt0 -58.12 -49.95 75.18 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.945 -0.57 . . . . 71.2 110.78 177.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 49' ' ' SER . 23.7 mm-40 -59.57 -47.34 85.92 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.982 -0.554 . . . . 70.33 110.904 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -65.55 -40.45 92.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.819 -0.628 . . . . 75.33 110.041 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -59.65 -45.21 92.7 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.335 -0.393 . . . . 74.14 110.779 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.524 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 97.0 mmm -57.75 -45.24 86.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.526 . . . . 75.15 110.374 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.559 HG23 HG21 ' A' ' 71' ' ' ILE . 72.1 mt -59.08 -49.96 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.845 -0.616 . . . . 62.1 111.105 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.617 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 36.9 m-85 -60.52 -31.47 70.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.687 -0.233 . . . . 75.23 111.383 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -69.95 -51.53 31.91 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.007 -0.277 . . . . 73.42 111.663 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.6 m -82.58 -29.09 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 112.726 0.639 . . . . 74.32 112.726 -172.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 31.9 tp -101.55 16.62 25.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.098 0.475 . . . . 70.44 111.102 -172.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 8.3 t0 -87.69 100.37 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 64.21 110.524 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -139.18 50.22 0.79 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.55 -1.02 . . . . 43.43 110.55 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.2 mt 63.44 71.63 0.5 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.65 0.738 . . . . 63.23 109.47 -170.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.3 t30 . . . . . 0 C--N 1.323 -0.565 0 CA-C-N 114.99 -1.005 . . . . 65.22 109.986 -175.3 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.2 mt . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 121.004 0.431 . . . . 52.42 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -100.89 16.63 24.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 62.22 110.352 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.559 HG21 HG23 ' A' ' 57' ' ' ILE . 19.4 tt -109.76 139.59 32.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.991 -0.549 . . . . 61.5 110.687 -177.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -118.3 108.67 15.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.234 -0.654 . . . . 75.12 109.234 172.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 71' ' ' ILE . 6.2 p -118.79 127.02 53.14 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.464 -0.334 . . . . 71.51 111.475 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.715 0 C-N-CA 120.916 -0.659 . . . . 44.31 111.813 178.467 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.9 p . . . . . 0 N--CA 1.45 -0.47 0 N-CA-C 109.889 -0.411 . . . . 72.04 109.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.586 ' HB3' HD13 ' A' ' 11' ' ' LEU . 38.7 mt-30 -79.58 72.86 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.283 -1.006 . . . . 72.35 108.283 172.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -63.09 -41.45 99.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.125 -0.943 . . . . 75.12 111.867 -168.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -61.32 -43.1 99.44 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.706 -0.397 . . . . 65.43 109.964 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 8' ' ' GLN . 6.7 mp -66.96 -46.09 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.921 -0.582 . . . . 71.13 110.476 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.46 ' HG3' HG21 ' A' ' 24' ' ' ILE . 41.3 tt0 -60.18 -54.35 46.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.825 -0.625 . . . . 74.31 110.839 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.43 -38.59 81.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.756 . . . . 73.45 110.748 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.64 -50.74 68.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 72.01 110.689 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.87 -40.04 80.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.232 -0.44 . . . . 75.31 111.23 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -68.52 -34.36 75.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.608 -0.269 . . . . 75.13 111.27 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -78.9 -40.13 33.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.896 -0.322 . . . . 71.44 110.832 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.26 80.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.429 -0.351 . . . . 63.32 110.72 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -124.97 92.07 48.27 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.364 -0.38 . . . . 74.13 110.38 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.58 -9.68 26.78 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.613 2.208 . . . . 74.32 111.602 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -93.12 3.91 54.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.119 -0.946 . . . . 73.54 110.201 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -115.82 129.55 56.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.934 0.397 . . . . 74.4 111.652 -175.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.651 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 27.8 mm-40 -82.44 129.18 34.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.639 -0.709 . . . . 74.04 109.682 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.46 HG21 ' HG3' ' A' ' 12' ' ' GLU . 5.7 mm -87.28 110.51 20.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.188 -0.671 . . . . 75.31 109.188 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 14.0 m -109.51 110.27 21.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.993 -0.549 . . . . 60.33 109.854 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 m -89.36 115.15 28.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.565 0.697 . . . . 74.44 111.098 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.915 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 23.8 m -94.06 105.51 17.51 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.762 -0.654 . . . . 63.14 109.646 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -93.75 115.33 27.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.888 -0.597 . . . . 51.11 111.0 -176.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.39 98.86 11.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.252 -0.647 . . . . 71.35 109.252 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.4 t -75.19 122.93 29.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 71.32 110.354 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.76 -65.42 0.31 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.132 -0.787 . . . . 63.24 111.132 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -131.57 134.99 46.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.791 0.329 . . . . 71.24 110.342 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -76.8 69.41 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.684 -0.689 . . . . 73.15 110.538 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -94.95 -77.31 0.47 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.955 -0.566 . . . . 61.41 110.112 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -146.76 145.35 29.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.517 -0.549 . . . . 54.44 109.517 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -113.72 145.76 40.88 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.623 -0.51 . . . . 71.31 109.623 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.915 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 11.1 t -86.4 131.26 34.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.237 -0.438 . . . . 63.0 111.283 -170.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.0 mm -100.48 102.66 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.671 -0.492 . . . . 73.4 109.671 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 4.6 ttmp? -94.88 114.06 25.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.236 0.541 . . . . 73.43 109.778 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.418 HG13 ' HB1' ' A' ' 22' ' ' ALA . 77.8 t -91.15 114.37 28.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.417 -0.811 . . . . 63.22 110.479 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.651 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 50.3 mm -101.61 104.89 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.329 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -150.58 131.32 14.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.207 -0.451 . . . . 71.22 109.989 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.1 m -67.83 -4.64 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.983 -0.553 . . . . 73.12 112.369 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -84.87 -6.26 59.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.408 . . . . 53.44 110.438 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -94.92 -10.64 30.5 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.152 0.501 . . . . 62.12 110.005 172.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -73.92 123.77 24.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.669 . . . . 75.13 110.291 -178.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.21 -2.83 59.69 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.669 -0.776 . . . . 61.23 111.852 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HB3' ' HG3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -81.4 174.85 11.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.139 -0.319 . . . . 74.22 110.139 177.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.9 m -128.3 162.27 27.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.008 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -45.84 -60.11 2.42 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.722 0.638 . . . . 71.43 112.722 -173.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.97 -43.56 77.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.965 0.412 . . . . 63.51 111.186 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.464 ' OE1' ' HG3' ' A' ' 48' ' ' LYS . 36.7 tt0 -69.47 -44.92 70.2 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.834 -0.621 . . . . 71.2 110.863 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.523 ' HG3' ' HB3' ' A' ' 48' ' ' LYS . 54.4 mt-30 -60.46 -47.39 86.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 70.33 110.476 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.79 -47.55 85.83 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.002 -0.544 . . . . 75.33 110.094 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -60.08 -44.26 94.91 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 111.755 0.28 . . . . 74.14 111.755 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 69.2 mtm -58.86 -43.66 90.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.954 -0.298 . . . . 75.15 110.206 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 71' ' ' ILE . 98.2 mt -55.7 -50.49 67.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.084 -0.507 . . . . 62.1 110.686 175.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -64.31 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.978 0.362 . . . . 75.23 111.978 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -81.1 -30.25 34.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.117 0.414 . . . . 73.42 112.117 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -88.51 -34.15 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 120.537 -0.465 . . . . 74.32 111.062 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.1 32.29 2.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.406 0.622 . . . . 70.44 109.533 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -74.55 87.23 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.607 -0.724 . . . . 64.21 110.626 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.43 31.71 1.66 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.673 -0.694 . . . . 43.43 111.62 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.5 mt 60.4 28.01 17.63 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.182 0.438 . . . . 63.23 112.182 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.7 m120 . . . . . 0 C--N 1.327 -0.381 0 N-CA-C 109.759 -0.46 . . . . 65.22 109.759 175.318 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.2 mm . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.091 -0.337 . . . . 52.42 110.091 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -80.14 87.66 5.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.174 0.512 . . . . 62.22 110.33 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 57' ' ' ILE . 2.8 tp -97.64 119.18 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 61.5 110.211 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 84.8 mm-40 -127.59 118.96 24.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.11 -0.496 . . . . 75.12 110.017 178.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.7 p -92.23 124.52 36.36 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 121.015 -0.274 . . . . 71.51 110.752 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 C-N-CA 121.04 -0.6 . . . . 44.31 112.481 -178.494 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.45 -0.433 0 CA-C-O 121.115 0.483 . . . . 72.04 110.723 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -144.4 147.69 33.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.645 -0.707 . . . . 72.35 109.458 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -60.95 -35.09 75.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.766 0.317 . . . . 75.12 110.57 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -69.61 -37.24 76.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 65.43 110.462 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.69 -46.56 71.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 71.13 110.1 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.61 -43.06 97.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.858 -0.61 . . . . 74.31 110.862 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.25 -45.34 91.45 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.774 -0.454 . . . . 73.45 109.774 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.8 -47.56 82.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 72.01 110.608 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.1 mt -59.83 -48.84 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.234 -0.439 . . . . 75.31 111.006 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -72.52 -27.66 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.687 0.28 . . . . 75.13 111.553 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.15 -38.05 36.96 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.968 -0.293 . . . . 71.44 110.522 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.68 -40.03 63.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.065 0.459 . . . . 63.32 110.446 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -129.55 88.77 49.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.074 -0.512 . . . . 74.13 110.741 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.72 -3.69 14.22 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.621 2.214 . . . . 74.32 111.119 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -99.39 14.66 28.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.699 -1.137 . . . . 73.54 109.581 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.13 139.06 48.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 74.4 111.133 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -98.77 138.55 35.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.425 . . . . 74.04 110.219 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -108.03 117.78 54.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 75.31 110.855 -175.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 13.4 m -122.0 123.35 41.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.096 -0.335 . . . . 60.33 110.096 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 m -83.03 110.35 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.552 0.692 . . . . 74.44 110.622 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 m -94.24 127.26 39.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 63.14 111.106 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 p -85.14 110.24 18.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.731 -0.668 . . . . 51.11 110.98 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.99 -52.0 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.35 110.272 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 32' ' ' ASP . 15.0 p -121.33 -22.25 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.85 -0.614 . . . . 71.32 110.194 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.79 -33.94 6.07 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.872 -0.68 . . . . 63.24 111.49 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.685 ' H ' HG13 ' A' ' 30' ' ' VAL . 25.0 t70 -72.41 153.91 41.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.749 -0.226 . . . . 71.24 110.695 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.625 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . 12.7 m120 -67.02 -15.74 63.92 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.519 0.563 . . . . 73.15 112.519 -174.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -60.72 -34.05 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.952 0.723 . . . . 61.41 112.952 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.6 p-80 -157.41 126.44 5.84 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.918 -0.713 . . . . 54.44 112.745 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.625 ' CE2' ' HA ' ' A' ' 33' ' ' ASN . 93.2 m-85 -128.7 174.19 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.939 -1.028 . . . . 71.31 109.727 174.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.8 m -121.69 138.27 54.41 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.924 -0.399 . . . . 63.0 109.924 171.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.1 mt -99.73 115.7 41.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.962 -0.384 . . . . 73.4 109.962 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 14.0 ttmt -88.93 126.1 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.779 -0.452 . . . . 73.43 109.779 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.2 t -121.32 107.45 20.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.923 -0.581 . . . . 63.22 109.928 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.48 113.05 30.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.275 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.2 t -156.66 146.76 21.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.089 -0.505 . . . . 71.22 110.202 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 m -69.13 -8.79 48.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.144 -0.48 . . . . 73.12 110.831 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -79.19 -10.29 59.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.033 0.444 . . . . 53.44 110.266 175.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -108.3 -10.71 15.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 62.12 110.108 173.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -84.86 143.4 29.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.66 . . . . 75.13 110.286 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 -28.02 6.99 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.61 -0.805 . . . . 61.23 112.146 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -87.71 164.74 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.275 -0.269 . . . . 74.22 110.275 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -97.3 162.98 13.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.096 0.474 . . . . 74.4 111.653 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.655 ' HG3' HD22 ' A' ' 51' ' ' LEU . 16.6 ptpt -55.75 -37.52 68.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.376 -0.829 . . . . 71.43 112.404 -177.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.655 HD22 ' HG3' ' A' ' 50' ' ' LYS . 4.2 mm? -58.41 -47.96 82.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 63.51 110.291 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -60.31 -45.93 91.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.493 -0.776 . . . . 71.2 110.243 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' HG12 ' A' ' 57' ' ' ILE . 88.5 mt-30 -59.75 -46.96 87.56 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.587 -0.733 . . . . 70.33 110.691 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -61.02 -47.48 86.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 75.33 110.824 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 8.6 mpt_? -58.84 -52.34 66.16 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.284 -0.416 . . . . 74.14 111.35 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.427 ' O ' HG23 ' A' ' 60' ' ' VAL . 71.3 mtm -57.17 -49.53 75.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.282 -0.417 . . . . 75.15 111.016 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.531 HG13 HG12 ' A' ' 71' ' ' ILE . 45.9 mm -62.25 -41.07 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 62.1 110.961 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -65.03 -33.75 76.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.024 -0.534 . . . . 75.23 111.046 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -78.2 -41.77 33.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 73.42 111.252 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 56' ' ' MET . 92.3 t -65.92 -44.53 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.957 0.408 . . . . 74.32 110.641 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -94.25 35.19 1.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.108 -0.496 . . . . 70.44 110.172 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.2 125.65 24.11 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.721 -0.672 . . . . 64.21 111.57 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.38 179.17 42.3 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 109.8 -1.32 . . . . 43.43 109.8 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.7 tp -74.99 78.51 2.19 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.924 0.392 . . . . 63.23 110.15 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 . . . . . 0 C--N 1.322 -0.617 0 CA-C-N 115.925 -0.579 . . . . 65.22 109.498 177.793 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.0 tt . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 121.616 0.722 . . . . 52.42 111.633 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.48 1.11 2.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.5 -0.773 . . . . 62.22 110.087 171.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.531 HG12 HG13 ' A' ' 57' ' ' ILE . 2.4 tp -133.99 136.72 53.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.161 -0.927 . . . . 61.5 109.356 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 79.6 mt-30 -122.53 108.31 13.01 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.266 -0.642 . . . . 75.12 109.266 174.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 p -107.11 139.25 41.83 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 116.304 -0.407 . . . . 71.51 111.018 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.478 0 C-N-CA 120.946 -0.645 . . . . 44.31 112.347 178.818 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p . . . . . 0 N--CA 1.451 -0.408 0 N-CA-C 110.16 -0.311 . . . . 72.04 110.16 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.452 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 5.7 tp-100 63.0 27.31 15.86 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 122.271 1.034 . . . . 72.35 109.628 -175.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 p -65.04 -22.68 67.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.521 -1.218 . . . . 75.12 111.349 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -67.39 -41.48 84.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 65.43 110.382 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 HG13 ' A' ' 38' ' ' ILE . 2.4 tm? -69.31 -40.19 77.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.894 -0.78 . . . . 71.13 108.894 176.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.32 -54.63 43.14 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.677 -0.692 . . . . 74.31 109.937 174.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.3 -35.61 72.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.788 -0.642 . . . . 73.45 111.52 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.42 -48.49 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.037 -0.357 . . . . 72.01 110.037 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.637 HD12 HG21 ' A' ' 38' ' ' ILE . 67.3 mt -68.6 -34.29 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 75.31 110.51 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -61.61 -38.09 86.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.351 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -83.68 -26.33 29.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 71.44 111.308 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.14 -51.31 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.389 -0.369 . . . . 63.32 110.399 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.66 92.82 14.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 74.13 110.151 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.25 -18.18 50.34 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.808 2.339 . . . . 74.32 112.05 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -97.69 22.9 8.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 73.54 110.362 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' A' ' 42' ' ' SER . . . -112.09 134.02 53.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.754 -0.657 . . . . 74.4 110.653 178.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 7.3 mm-40 -78.4 101.09 7.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.386 -0.598 . . . . 74.04 109.386 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 57.4 mt -87.79 110.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.051 -0.522 . . . . 75.31 110.293 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 25.9 m -109.16 111.68 23.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.504 . . . . 60.33 110.764 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 m -83.05 126.94 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.155 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 m -125.56 116.47 21.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.367 -0.378 . . . . 63.14 111.23 -175.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.541 ' HB3' ' CE2' ' A' ' 36' ' ' TYR . 2.4 p -85.47 111.36 19.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.112 0.482 . . . . 51.11 111.005 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -106.84 114.48 28.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.181 0.515 . . . . 71.35 109.96 178.582 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.15 93.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.723 -0.671 . . . . 71.32 109.894 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.14 -115.87 2.61 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.811 -0.709 . . . . 63.24 111.832 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -84.06 -10.8 57.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.539 0.685 . . . . 71.24 109.585 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -155.31 137.81 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.861 -1.063 . . . . 73.15 108.857 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.67 93.8 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.511 -0.551 . . . . 61.41 109.511 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -122.69 158.81 29.26 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.623 -0.717 . . . . 54.44 109.868 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 38.9 m-85 -115.84 130.7 56.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.786 0.327 . . . . 71.31 110.664 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -101.89 145.32 29.39 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.903 -0.777 . . . . 63.0 108.903 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.637 HG21 HD12 ' A' ' 15' ' ' ILE . 42.3 mm -112.55 109.13 27.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 120.924 0.392 . . . . 73.4 110.596 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 35.4 mtmm -89.46 116.83 27.93 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.725 -0.472 . . . . 73.43 109.725 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.37 104.47 17.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 63.22 110.274 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 41.2 mm -102.67 112.46 36.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.062 -0.517 . . . . 73.31 109.913 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.507 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 32.2 t -152.1 147.75 26.83 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.42 -0.512 . . . . 71.22 111.185 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 p -64.41 -18.47 64.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.596 -0.729 . . . . 73.12 110.709 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.82 -16.27 62.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.863 -0.608 . . . . 53.44 110.868 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -111.11 -8.76 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.887 0.375 . . . . 62.12 110.49 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -87.61 125.45 34.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.777 -175.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.37 19.87 70.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.083 -0.58 . . . . 61.23 112.495 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -105.02 157.31 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.191 -0.3 . . . . 74.22 110.191 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.478 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 15.6 m -60.58 132.84 55.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.262 -0.426 . . . . 74.4 110.35 175.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 59.2 mttp -61.67 -40.23 94.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 71.43 110.963 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 96.5 mt -54.27 -46.68 72.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.231 -0.441 . . . . 63.51 110.164 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG2' ' HB2' ' A' ' 49' ' ' SER . 31.4 mm-40 -63.43 -43.0 98.7 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.858 -0.61 . . . . 71.2 111.081 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.522 ' O ' HG12 ' A' ' 57' ' ' ILE . 81.4 mt-30 -57.87 -47.75 81.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.169 0.509 . . . . 70.33 110.118 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -68.94 -39.72 79.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.551 -0.749 . . . . 75.33 110.383 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 51' ' ' LEU . 76.2 mtp180 -53.9 -53.96 45.41 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.104 0.478 . . . . 74.14 110.647 175.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 66.2 mtm -62.99 -46.17 88.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.503 -0.771 . . . . 75.15 111.131 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 53' ' ' GLN . 41.3 mm -64.47 -42.78 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.64 -0.255 . . . . 62.1 111.036 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -66.34 -33.01 74.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.632 0.254 . . . . 75.23 111.061 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -38.52 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.504 -0.317 . . . . 73.42 110.782 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.458 HG13 HD22 ' A' ' 61' ' ' LEU . 14.8 p -80.54 -31.47 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 120.948 -0.301 . . . . 74.32 111.242 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.458 HD22 HG13 ' A' ' 60' ' ' VAL . 4.0 mm? -85.87 6.88 26.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.848 0.356 . . . . 70.44 110.86 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.66 118.56 10.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 64.21 109.883 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.72 52.26 0.27 Allowed Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.654 -0.978 . . . . 43.43 110.654 -173.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.6 pp -92.82 156.58 16.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.521 -0.34 . . . . 63.23 110.968 -175.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 . . . . . 0 C--N 1.326 -0.431 0 CA-C-N 116.018 -0.537 . . . . 65.22 109.8 177.45 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 pt . . . . . 0 CA--C 1.532 0.26 0 CA-C-O 121.489 0.661 . . . . 52.42 112.467 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.71 18.05 5.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.664 -0.698 . . . . 62.22 109.434 171.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.429 HD13 HD12 ' A' ' 57' ' ' ILE . 7.8 tt -111.12 119.1 58.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.421 -0.809 . . . . 61.5 109.894 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . 49.1 mt-30 -113.44 108.51 17.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.874 -0.603 . . . . 75.12 110.197 -177.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 p -88.83 138.73 31.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.354 -0.385 . . . . 71.51 111.16 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 121.152 -0.547 . . . . 44.31 112.01 177.427 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 t . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.51 -0.552 . . . . 72.04 109.51 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.47 58.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 72.35 110.304 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.541 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 67.6 m -66.16 -22.65 66.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.919 0.711 . . . . 75.12 112.919 -172.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -67.64 -40.22 84.58 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.208 -0.597 . . . . 65.43 109.473 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' O ' HG12 ' A' ' 15' ' ' ILE . 3.2 tm? -71.04 -44.07 66.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.726 -0.67 . . . . 71.13 109.293 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.541 ' OE1' ' HA ' ' A' ' 9' ' ' SER . 81.4 mt-10 -57.03 -51.59 68.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.531 . . . . 74.31 110.205 176.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.72 -42.76 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.796 -0.638 . . . . 73.45 110.441 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.22 -49.29 76.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.291 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 11' ' ' LEU . 50.0 mm -59.7 -47.0 92.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.507 -0.315 . . . . 75.31 110.913 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -66.13 -38.25 87.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 75.13 111.368 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.515 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -80.69 -23.07 39.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.446 -0.343 . . . . 71.44 111.126 -176.229 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.69 -47.98 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.715 0.293 . . . . 63.32 110.387 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -128.94 97.8 25.78 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 74.13 110.513 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.45 -25.13 48.73 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.654 2.236 . . . . 74.32 112.126 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -82.03 -1.79 49.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.723 -0.672 . . . . 73.54 111.247 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.29 129.71 43.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.451 -0.34 . . . . 74.4 110.18 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -92.79 131.23 38.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.326 0.584 . . . . 74.04 111.039 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -105.6 117.76 51.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.065 -0.97 . . . . 75.31 109.731 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.557 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 14.3 m -119.17 107.68 13.74 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.877 -0.329 . . . . 60.33 110.185 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.03 115.13 24.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.645 0.736 . . . . 74.44 110.122 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.934 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 12.0 m -94.71 111.54 23.31 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.395 -0.821 . . . . 63.14 110.602 -177.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.601 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 37.5 m -87.08 121.69 29.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.557 -0.747 . . . . 51.11 109.375 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HG ' HG22 ' A' ' 30' ' ' VAL . 2.4 pt? -135.81 -51.87 0.74 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.837 -0.345 . . . . 71.35 111.725 -175.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.502 HG22 ' HG ' ' A' ' 29' ' ' LEU . 35.6 m -131.44 148.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 71.32 111.407 -174.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.34 -173.83 32.03 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.492 -0.777 . . . . 63.24 113.648 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' HA ' ' OH ' ' A' ' 36' ' ' TYR . 25.0 t70 -135.73 -63.36 0.66 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.42 -0.585 . . . . 71.24 109.42 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -83.92 53.71 2.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.866 -0.791 . . . . 73.15 108.866 172.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -136.04 -176.88 4.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 61.41 110.568 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -88.18 137.13 32.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.561 . . . . 54.44 110.3 175.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.601 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 63.4 m-85 -107.76 173.66 6.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.943 -0.571 . . . . 71.31 110.287 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.934 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 23.3 t -86.52 126.13 34.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.888 0.375 . . . . 63.0 110.482 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.3 mm -99.9 105.6 17.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.117 0.484 . . . . 73.4 109.908 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 22.0 ttmm -92.68 113.48 25.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.068 -0.514 . . . . 73.43 109.924 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -98.63 114.53 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.765 -0.652 . . . . 63.22 110.479 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mm -106.06 100.21 10.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.884 -0.598 . . . . 73.31 109.721 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 15.7 m -125.94 136.49 53.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.818 0.342 . . . . 71.22 110.597 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 7.8 t -67.8 -17.21 64.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.804 -0.635 . . . . 73.12 109.536 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -72.19 -8.6 55.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.412 -0.813 . . . . 53.44 111.434 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.467 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 46.3 m-85 -99.28 -10.92 21.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.536 0.198 . . . . 62.12 111.536 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 43' ' ' SER . 19.5 pt20 -78.68 143.61 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 75.13 110.374 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.43 -26.79 12.22 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.371 -0.691 . . . . 61.23 111.371 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -91.8 138.5 31.51 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.362 -0.607 . . . . 74.22 109.362 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB2' ' OE1' ' A' ' 52' ' ' GLU . 20.2 m -81.19 169.76 16.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.376 -0.375 . . . . 74.4 111.045 -173.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -52.17 -34.14 43.69 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.791 -0.64 . . . . 71.43 111.71 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 tt -65.85 -49.7 67.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.386 . . . . 63.51 110.398 -174.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE1' ' HB2' ' A' ' 49' ' ' SER . 2.6 mp0 -58.96 -44.62 91.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.19 0.519 . . . . 71.2 110.025 177.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 57' ' ' ILE . 78.7 mt-30 -59.7 -43.75 93.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 70.33 110.527 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -61.17 -42.45 98.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.309 -0.405 . . . . 75.33 110.966 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -58.0 -49.63 76.2 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.321 0.581 . . . . 74.14 110.558 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.45 ' O ' HG23 ' A' ' 60' ' ' VAL . 82.0 mtp -58.63 -52.96 63.46 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.975 -1.011 . . . . 75.15 110.434 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.542 HG23 HD13 ' A' ' 71' ' ' ILE . 68.8 mt -57.54 -43.12 82.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.075 0.464 . . . . 62.1 110.292 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -54.34 -47.98 71.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.391 -0.822 . . . . 75.23 111.355 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 23.9 mmtt -86.04 -23.95 26.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.308 0.855 . . . . 73.42 113.308 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 56' ' ' MET . 48.2 t -68.02 -47.6 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.595 -0.442 . . . . 74.32 110.077 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.93 -33.61 45.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.146 -0.479 . . . . 70.44 110.049 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 61.47 33.76 18.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.311 -0.859 . . . . 64.21 110.15 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.43 149.06 19.8 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.503 -0.771 . . . . 43.43 111.302 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.15 99.15 5.3 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.945 0.402 . . . . 63.23 110.462 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 C--N 1.322 -0.596 0 CA-C-O 121.068 0.461 . . . . 65.22 110.642 179.821 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.45 -0.456 0 CA-C-O 121.868 0.842 . . . . 52.42 110.023 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -2.1 44.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.39 -0.823 . . . . 62.22 111.851 -174.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.542 HD13 HG23 ' A' ' 57' ' ' ILE . 8.0 tt -113.15 119.25 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.235 0.54 . . . . 61.5 110.215 174.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -116.74 119.87 36.82 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.333 -0.617 . . . . 75.12 109.333 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.0 m -107.56 129.74 54.95 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.45 -0.341 . . . . 71.51 111.406 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.456 0 C-N-CA 120.976 -0.63 . . . . 44.31 113.624 173.868 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 109.666 -0.494 . . . . 72.04 109.666 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.29 88.79 3.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.411 -0.589 . . . . 72.35 109.411 175.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 m -59.3 -33.68 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.324 -0.853 . . . . 75.12 112.113 -174.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.44 -37.44 87.54 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.692 -0.403 . . . . 65.43 110.566 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.44 -42.75 71.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.944 0.402 . . . . 71.13 110.111 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -59.79 -51.42 69.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.825 -0.625 . . . . 74.31 109.785 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.99 -38.96 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.661 -0.7 . . . . 73.45 110.662 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.0 -49.35 78.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.745 0.307 . . . . 72.01 110.487 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -64.72 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.654 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -69.08 -33.93 74.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 75.13 111.152 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.32 -33.33 49.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 71.44 110.599 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.06 -45.29 34.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 63.32 110.726 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -126.81 89.81 51.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.388 -0.369 . . . . 74.13 110.644 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.72 6.73 3.1 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 123.012 2.475 . . . . 74.32 111.968 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -115.99 13.18 15.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.559 -0.746 . . . . 73.54 110.303 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -112.19 131.82 55.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.521 . . . . 74.4 112.204 -174.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.742 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -85.34 106.95 17.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.832 -0.803 . . . . 74.04 108.832 174.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.4 mt -90.71 124.17 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.874 -0.603 . . . . 75.31 111.549 -174.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.653 ' HB ' ' HE2' ' A' ' 39' ' ' LYS . 86.7 m -135.2 128.79 32.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.297 -0.411 . . . . 60.33 110.643 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.1 m -100.42 121.26 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.0 0.429 . . . . 74.44 110.174 174.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.6 m -120.85 121.13 37.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.233 -0.44 . . . . 63.14 111.293 -176.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 m -80.74 131.11 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.291 -0.413 . . . . 51.11 110.245 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 37' ' ' SER . 7.6 mp -78.82 82.62 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.458 -0.337 . . . . 71.35 110.803 -177.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.4 m 40.26 31.12 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.553 1.141 . . . . 71.32 112.834 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.47 124.94 1.31 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 111.217 -0.753 . . . . 63.24 111.217 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -67.49 -40.07 85.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.834 0.349 . . . . 71.24 111.083 -172.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -111.47 13.11 21.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.859 0.361 . . . . 73.15 110.984 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.03 -79.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.914 0.388 . . . . 61.41 110.748 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -146.19 152.84 39.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.277 -0.42 . . . . 54.44 110.327 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -119.48 135.5 54.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.019 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 29' ' ' LEU . 9.6 t -106.46 126.22 51.98 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.958 -0.756 . . . . 63.0 108.958 173.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.8 mp -99.83 104.27 15.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.445 -0.576 . . . . 73.4 109.445 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.653 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 29.6 ttpt -87.02 116.0 24.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.777 -0.647 . . . . 73.43 110.219 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.403 HG13 ' HB1' ' A' ' 22' ' ' ALA . 61.4 t -113.07 104.28 16.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.958 -0.564 . . . . 63.22 109.497 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.742 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 39.6 mm -95.11 107.79 19.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.137 0.494 . . . . 73.31 110.785 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -151.06 136.36 17.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.532 -0.758 . . . . 71.22 109.52 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.1 m -70.37 -2.45 13.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.324 0.583 . . . . 73.12 110.486 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.98 -20.65 45.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.591 -0.731 . . . . 53.44 110.371 176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.43 -10.84 47.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.468 -0.333 . . . . 62.12 111.504 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -81.08 127.61 32.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.179 -0.304 . . . . 75.13 110.179 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.07 2.23 58.18 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.723 -0.751 . . . . 61.23 112.033 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -92.51 132.98 36.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.142 -0.318 . . . . 74.22 110.142 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -75.91 157.04 33.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.095 -0.502 . . . . 74.4 110.283 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -54.82 -41.94 71.29 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.594 0.59 . . . . 71.43 112.594 -174.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.08 -44.33 96.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.701 -0.4 . . . . 63.51 110.404 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -64.31 -41.38 96.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.993 -0.549 . . . . 71.2 110.487 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.513 ' O ' HG12 ' A' ' 57' ' ' ILE . 54.2 mt-30 -57.7 -47.29 82.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.146 -0.479 . . . . 70.33 110.022 176.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -62.05 -48.12 81.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.757 -0.656 . . . . 75.33 110.028 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -54.52 -50.95 66.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.887 -0.597 . . . . 74.14 111.382 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.8 mtm -62.13 -47.81 82.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 75.15 111.128 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 53' ' ' GLN . 37.7 mm -64.36 -48.04 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.541 -0.299 . . . . 62.1 111.213 -178.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.515 ' HB3' HD23 ' A' ' 64' ' ' LEU . 17.9 m-85 -63.95 -31.21 72.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.514 -0.312 . . . . 75.23 111.001 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -73.07 -48.95 31.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.712 -0.222 . . . . 73.42 111.169 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.85 -34.74 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 120.863 0.363 . . . . 74.32 111.484 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -85.99 -15.49 41.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.756 0.312 . . . . 70.44 110.194 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 t70 55.97 77.79 0.22 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.182 -0.917 . . . . 64.21 110.774 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.5 83.69 0.1 Allowed Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.239 -0.892 . . . . 43.43 111.854 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 58' ' ' TYR . 80.2 mt -83.15 -4.76 58.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.942 0.401 . . . . 63.23 110.907 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 . . . . . 0 C--N 1.325 -0.499 0 CA-C-N 115.925 -0.58 . . . . 65.22 111.618 -176.204 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 69' ' ' ILE . 3.5 mp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 121.824 0.821 . . . . 52.42 110.063 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -104.76 4.88 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.031 -0.986 . . . . 62.22 109.133 175.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 tp -96.95 122.83 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.957 -1.02 . . . . 61.5 109.242 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.55 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . 8.9 tp-100 -106.28 110.02 22.13 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.289 0.566 . . . . 75.12 110.829 -175.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.3 p -124.1 146.5 48.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.512 -0.767 . . . . 71.51 109.937 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.879 -0.677 . . . . 44.31 113.032 -176.258 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 109.267 -0.642 . . . . 72.04 109.267 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -76.05 90.66 3.05 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.741 -0.466 . . . . 72.35 109.741 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -59.52 -34.64 72.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.523 -0.762 . . . . 75.12 111.469 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -64.1 -38.43 91.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.33 -0.396 . . . . 65.43 110.119 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.63 -50.58 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 71.13 110.225 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -52.85 -52.29 57.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.814 -0.63 . . . . 74.31 110.372 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.24 -47.36 86.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.6 -0.727 . . . . 73.45 111.305 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.97 -50.87 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.646 0.26 . . . . 72.01 111.166 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.5 mt -68.89 -39.76 80.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.308 -0.406 . . . . 75.31 110.781 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -66.26 -38.46 87.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 75.13 110.964 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.96 -32.92 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.441 -0.345 . . . . 71.44 110.603 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -49.94 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.39 -0.368 . . . . 63.32 111.212 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.71 96.95 19.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.85 0.357 . . . . 74.13 110.806 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.81 -12.09 26.18 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.844 2.363 . . . . 74.32 112.166 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -96.8 10.24 39.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 73.54 110.93 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.08 133.16 52.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.969 0.414 . . . . 74.4 111.124 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.83 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 2.5 mp0 -81.31 114.56 20.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.891 -0.595 . . . . 74.04 109.938 174.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.7 mt -92.93 111.02 23.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.71 -0.677 . . . . 75.31 110.418 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 27.3 m -127.78 105.68 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.03 0.443 . . . . 60.33 111.291 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.1 m -83.37 128.21 38.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.21 0.529 . . . . 74.44 110.664 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 8.2 m -106.28 125.02 50.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.996 -0.547 . . . . 63.14 109.758 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 p -91.73 125.04 36.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.664 0.268 . . . . 51.11 111.039 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.41 ' HB3' ' H ' ' A' ' 30' ' ' VAL . 3.2 mm? -124.83 -160.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.291 -0.633 . . . . 71.35 109.291 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.41 ' H ' ' HB3' ' A' ' 29' ' ' LEU . 7.1 p -66.13 135.77 27.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.907 -0.405 . . . . 71.32 109.907 175.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.37 46.59 5.77 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 110.752 -0.939 . . . . 63.24 110.752 -174.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -47.45 -68.66 0.17 Allowed 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.638 0.775 . . . . 71.24 112.543 -172.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -79.8 17.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.039 -0.528 . . . . 73.15 112.332 -168.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -124.04 -35.33 2.85 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.75 -0.38 . . . . 61.41 111.101 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -156.99 115.6 3.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.177 0.513 . . . . 54.44 111.778 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -103.87 157.83 16.82 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.038 -0.727 . . . . 71.31 109.038 172.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 37.9 m -90.44 118.69 30.11 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.785 -0.82 . . . . 63.0 108.785 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 tp -99.46 110.94 27.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.686 0.755 . . . . 73.4 111.03 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 68.9 mttm -86.16 109.55 18.96 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.146 -0.934 . . . . 73.43 109.588 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -97.25 103.94 15.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.338 -0.986 . . . . 63.22 108.338 172.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.83 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 21.1 mm -97.29 103.79 15.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.685 -0.689 . . . . 73.31 109.692 -175.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.4 t -149.14 135.08 18.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.244 -0.434 . . . . 71.22 110.562 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.5 t -61.23 -16.41 44.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 73.12 110.469 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -74.18 -14.24 60.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.738 -0.665 . . . . 53.44 111.417 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -92.84 -10.99 34.78 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.883 0.373 . . . . 62.12 111.012 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -94.81 125.6 39.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 75.13 110.465 -175.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.16 -22.67 39.69 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.868 -0.682 . . . . 61.23 111.467 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -70.51 151.71 44.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.785 -0.45 . . . . 74.22 109.785 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.641 ' HB3' ' HG3' ' A' ' 52' ' ' GLU . 19.3 t -66.28 149.46 50.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.175 -0.305 . . . . 74.4 110.175 176.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -64.21 -31.12 72.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.151 -0.314 . . . . 71.43 110.151 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.54 -44.13 97.11 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.621 -0.511 . . . . 63.51 109.621 175.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.641 ' HG3' ' HB3' ' A' ' 49' ' ' SER . 44.3 mt-10 -61.57 -49.09 78.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.778 -0.646 . . . . 71.2 109.823 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.478 ' O ' HG12 ' A' ' 57' ' ' ILE . 35.5 mt-30 -54.47 -47.06 73.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.526 -0.761 . . . . 70.33 111.289 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -64.13 -43.07 96.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.574 -0.285 . . . . 75.33 111.009 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -66.77 -41.96 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 74.14 111.332 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.0 mtp -60.27 -50.29 74.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.415 -0.357 . . . . 75.15 110.217 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.737 ' HA ' HG22 ' A' ' 60' ' ' VAL . 39.1 mm -63.07 -38.0 80.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.186 0.517 . . . . 62.1 110.312 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.601 ' HD1' ' HB3' ' A' ' 65' ' ' ASN . 43.2 t80 -58.83 -38.51 78.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 75.23 110.416 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -85.88 -39.48 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.198 0.444 . . . . 73.42 112.198 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 57' ' ' ILE . 33.7 m -67.1 -35.58 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 120.478 -0.489 . . . . 74.32 111.249 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.8 mt -79.2 -27.48 42.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.279 -0.637 . . . . 70.44 109.279 173.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 t70 53.75 73.07 0.4 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.749 -1.114 . . . . 64.21 110.816 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.87 -162.7 29.25 Favored Glycine 0 N--CA 1.439 -1.124 0 N-CA-C 110.635 -0.986 . . . . 43.43 110.635 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.4 mt -90.48 96.42 10.64 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.006 0.431 . . . . 63.23 111.004 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . 0.601 ' HB3' ' HD1' ' A' ' 58' ' ' TYR . 40.6 t30 . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 115.754 -0.657 . . . . 65.22 109.612 176.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.5 mm . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 121.063 0.458 . . . . 52.42 110.44 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -78.76 -35.47 44.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.745 -0.662 . . . . 62.22 110.907 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.4 tp -97.37 129.95 46.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.107 -0.497 . . . . 61.5 111.188 -174.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 86.2 mt-30 -125.67 116.67 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.531 -0.544 . . . . 75.12 109.531 174.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -114.44 127.68 55.95 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.256 -0.429 . . . . 71.51 111.256 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.683 0 C-N-CA 120.764 -0.732 . . . . 44.31 111.857 -178.39 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.7 p . . . . . 0 N--CA 1.451 -0.397 0 CA-C-O 120.741 0.305 . . . . 72.04 110.683 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.97 -17.85 62.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 72.35 110.43 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 m -61.39 -38.32 86.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.029 -0.532 . . . . 75.12 110.587 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.34 -43.29 99.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 65.43 110.032 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.16 -46.94 78.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.461 -0.791 . . . . 71.13 110.583 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HA ' HD13 ' A' ' 24' ' ' ILE . 29.8 mt-10 -57.82 -51.15 70.76 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.513 -0.312 . . . . 74.31 111.023 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.412 ' HG ' ' OD1' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -56.14 -48.13 76.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.449 -0.341 . . . . 73.45 110.91 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.56 -51.25 65.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.99 0.424 . . . . 72.01 111.115 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.416 ' HB ' ' CD1' ' A' ' 24' ' ' ILE . 48.4 mm -67.94 -39.69 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.798 -0.637 . . . . 75.31 110.75 -178.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -72.54 -24.03 61.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 75.13 111.227 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HG ' ' A' ' 13' ' ' LEU . 11.0 m120 -81.58 -44.71 16.89 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.821 -0.437 . . . . 71.44 109.821 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.98 80.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.002 -0.544 . . . . 63.32 110.857 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.569 ' HE2' ' HB ' ' A' ' 60' ' ' VAL . 91.7 m-85 -126.23 95.33 39.12 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.398 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.01 -15.31 46.52 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.893 2.395 . . . . 74.32 111.617 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -88.42 -11.43 46.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.332 -0.849 . . . . 73.54 110.917 -177.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -96.06 129.44 43.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.366 0.506 . . . . 74.4 112.366 -170.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.615 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 60.7 mm-40 -88.77 124.8 34.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.558 -0.747 . . . . 74.04 109.345 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 12' ' ' GLU . 33.3 mt -94.13 110.75 24.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.442 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.552 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 15.6 m -109.64 105.79 15.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.839 0.352 . . . . 60.33 110.62 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.15 106.54 15.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.466 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.0 m -96.78 123.35 40.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 63.14 110.515 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.411 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 23.1 t -78.97 134.52 36.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.225 -0.443 . . . . 51.11 110.105 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 35' ' ' HIS . 62.5 mt -102.01 125.29 48.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.014 0.435 . . . . 71.35 110.251 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -65.88 167.43 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 71.32 112.16 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.05 -134.03 9.64 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.953 -0.641 . . . . 63.24 112.063 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -136.05 0.25 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.385 0.612 . . . . 71.24 110.407 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -100.48 146.6 26.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 73.15 109.966 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.94 80.0 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.208 -0.664 . . . . 61.41 109.208 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.623 ' HB3' HD12 ' A' ' 29' ' ' LEU . 1.4 m-70 -122.9 135.98 54.7 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.509 -0.769 . . . . 54.44 110.097 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.411 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 95.2 m-85 -132.28 159.08 40.17 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.909 -0.587 . . . . 71.31 110.085 177.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.2 m -118.54 119.31 34.14 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.058 -0.719 . . . . 63.0 109.058 171.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 pt -99.36 105.64 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.644 0.735 . . . . 73.4 109.981 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 39.2 ttpt -85.97 113.22 21.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.083 -0.962 . . . . 73.43 110.16 -177.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' HB1' ' A' ' 22' ' ' ALA . 45.8 t -91.99 107.09 18.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.288 -0.869 . . . . 63.22 110.184 -179.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.615 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 47.9 mm -94.89 103.9 15.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.334 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.447 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 37.2 t -157.35 130.96 7.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 71.22 110.698 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.3 t -66.28 -13.55 60.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 73.12 110.451 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -62.93 -26.45 68.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 53.44 110.739 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -89.11 -9.87 49.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.033 0.444 . . . . 62.12 110.812 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.42 137.57 32.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.291 -0.633 . . . . 75.13 109.291 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.43 -9.28 62.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.191 -0.528 . . . . 61.23 112.445 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 12.2 mptt -103.81 149.44 25.04 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.195 -0.298 . . . . 74.22 110.195 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.519 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 44.4 m -84.46 171.08 12.87 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.227 -0.286 . . . . 74.4 110.227 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -51.84 -46.09 64.23 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.724 0.638 . . . . 71.43 112.724 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.55 -47.47 85.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.825 0.345 . . . . 63.51 110.551 -176.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 44.2 mt-10 -58.72 -46.08 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 71.2 110.616 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 49' ' ' SER . 49.9 mt-30 -60.09 -47.29 86.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 70.33 110.807 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.15 -41.27 99.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.315 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 22.9 mtt180 -64.74 -37.19 86.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.505 -0.316 . . . . 74.14 111.469 178.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 74.1 mtm -65.63 -36.84 84.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.873 0.368 . . . . 75.15 110.122 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.794 HG23 HD13 ' A' ' 71' ' ' ILE . 86.3 mt -61.73 -41.48 90.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.971 -0.559 . . . . 62.1 110.209 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' A' ' 55' ' ' ARG . 23.8 m-85 -64.59 -35.06 79.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.638 177.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 55' ' ' ARG . 54.9 mtpt -65.09 -51.66 60.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 73.42 111.54 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.569 ' HB ' ' HE2' ' A' ' 19' ' ' PHE . 7.7 p -72.87 -36.47 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 74.32 112.116 -173.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 61' ' ' LEU . 2.2 tm? -89.43 -26.87 20.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.67 0.271 . . . . 70.44 110.559 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 57.05 70.16 0.68 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.343 0.592 . . . . 64.21 109.655 -171.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.5 -157.52 22.63 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.642 -0.789 . . . . 43.43 112.67 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -149.85 -164.66 2.07 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.195 -0.668 . . . . 63.23 109.195 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 p30 . . . . . 0 C--N 1.327 -0.412 0 CA-C-O 121.636 0.731 . . . . 65.22 111.209 178.169 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.017 0.437 . . . . 52.42 110.183 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -106.26 -13.86 15.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 62.22 110.979 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.794 HD13 HG23 ' A' ' 57' ' ' ILE . 17.4 tt -119.98 138.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.093 0.473 . . . . 61.5 111.18 -175.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 6.3 tp60 -133.49 148.87 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.703 -0.851 . . . . 75.12 108.703 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.4 p -120.54 141.62 50.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.12 0.486 . . . . 71.51 111.529 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.476 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . . . . . . 0 N--CA 1.447 -0.572 0 N-CA-C 111.226 -0.75 . . . . 44.31 111.226 176.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.98 -0.378 . . . . 72.04 109.98 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -89.42 93.32 9.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.967 0.413 . . . . 72.35 109.911 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m -65.3 -26.26 67.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.635 -0.711 . . . . 75.12 110.892 -176.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -66.45 -40.84 89.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 65.43 110.297 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.6 -41.83 83.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.42 -0.585 . . . . 71.13 109.42 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.44 -41.17 98.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 74.31 110.372 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.09 -39.71 90.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 73.45 110.302 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 tp -60.37 -50.8 72.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.158 -0.474 . . . . 72.01 110.402 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.16 -35.43 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.643 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.478 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -68.4 -33.1 73.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.532 -178.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -81.17 -29.58 34.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.937 -0.305 . . . . 71.44 110.905 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.0 -55.3 5.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.374 . . . . 63.32 110.991 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -132.32 84.0 53.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.13 109.885 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.93 -43.52 6.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.812 2.342 . . . . 74.32 113.445 -173.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.52 -2.45 58.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.464 -0.335 . . . . 73.54 111.789 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.2 162.99 21.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.5 -0.318 . . . . 74.4 110.694 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.959 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 7.6 tp10 -74.98 103.73 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.698 -0.482 . . . . 74.04 109.698 176.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.99 110.83 23.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.86 -0.609 . . . . 75.31 110.073 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.9 m -132.33 123.59 27.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.334 -0.393 . . . . 60.33 110.593 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 m -93.15 120.61 42.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.106 0.479 . . . . 74.44 109.773 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.951 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 31.4 m -93.23 105.21 17.32 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.069 0.462 . . . . 63.14 110.059 -177.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -89.61 108.47 19.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.704 -0.68 . . . . 51.11 109.952 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 29' ' ' LEU . 2.5 pt? -128.44 -170.02 2.18 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.646 -0.707 . . . . 71.35 109.534 -178.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.96 96.43 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.929 0.871 . . . . 71.32 110.236 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.99 40.93 1.42 Allowed Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.101 -0.954 . . . . 63.24 111.112 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 60.01 20.18 9.29 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.055 0.542 . . . . 71.24 110.85 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.8 18.5 9.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.422 -0.808 . . . . 73.15 111.285 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -119.45 -55.32 2.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.381 -0.372 . . . . 61.41 110.959 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB3' HE22 ' A' ' 70' ' ' GLN . 5.0 m80 -99.79 123.2 43.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.004 0.43 . . . . 54.44 111.362 -177.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -116.09 163.7 15.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.593 -0.73 . . . . 71.31 109.402 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.951 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 28.4 m -86.46 139.08 31.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.961 0.41 . . . . 63.0 110.756 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.02 113.89 36.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.517 -0.549 . . . . 73.4 109.517 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -110.97 116.72 31.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.041 0.448 . . . . 73.43 110.413 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.49 107.58 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.943 -0.571 . . . . 63.22 110.056 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.959 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 49.7 mm -96.13 107.62 19.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.176 0.512 . . . . 73.31 110.188 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -141.98 147.8 37.54 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.711 -0.677 . . . . 71.22 109.857 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -63.91 -14.42 53.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.39 -0.368 . . . . 73.12 110.961 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.54 -15.29 61.77 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.894 0.378 . . . . 53.44 110.757 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HB3' ' CA ' ' A' ' 74' ' ' GLY . 60.2 m-85 -105.83 -10.56 16.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 62.12 111.009 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -87.64 133.15 33.87 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.922 0.391 . . . . 75.13 110.588 -173.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.96 12.95 83.0 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.982 -0.553 . . . . 61.23 112.7 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -93.68 143.11 26.61 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.853 -0.425 . . . . 74.22 109.853 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.8 m -79.63 170.89 15.89 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.581 -0.526 . . . . 74.4 109.581 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 9.9 mtmp? -53.43 -42.7 67.35 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.774 0.287 . . . . 71.43 111.774 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.62 -56.1 24.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.674 0.274 . . . . 63.51 110.774 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -57.89 -43.68 86.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.935 -0.575 . . . . 71.2 111.462 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' O ' HG12 ' A' ' 57' ' ' ILE . 46.5 mt-30 -65.39 -43.58 90.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.618 -0.264 . . . . 70.33 111.138 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 37.9 m170 -60.81 -41.48 95.77 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.844 -0.428 . . . . 75.33 109.844 178.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.64 -46.06 91.73 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.7 -0.682 . . . . 74.14 111.111 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.4 mmm -62.03 -44.65 96.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.063 -0.517 . . . . 75.15 110.943 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.532 ' HA ' HG12 ' A' ' 60' ' ' VAL . 40.3 mm -68.12 -38.22 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 62.1 110.461 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.03 -31.78 72.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.117 0.484 . . . . 75.23 110.332 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 59' ' ' LYS . 38.3 ttmt -75.06 -46.64 33.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.789 -0.641 . . . . 73.42 110.931 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 57' ' ' ILE . 11.4 p -71.83 -38.53 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 120.647 0.26 . . . . 74.32 111.281 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HG ' HG13 ' A' ' 60' ' ' VAL . 90.8 mt -98.93 35.89 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.113 0.482 . . . . 70.44 110.362 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.11 140.43 52.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.35 -0.841 . . . . 64.21 111.729 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.88 -43.16 0.84 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.098 -0.801 . . . . 43.43 111.098 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.8 mt -139.68 175.29 9.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.395 -0.594 . . . . 63.23 109.395 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 t30 . . . . . 0 C--N 1.325 -0.494 0 N-CA-C 107.679 -1.23 . . . . 65.22 107.679 171.762 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.625 HG22 ' HG3' ' A' ' 70' ' ' GLN . 59.6 mt . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 108.509 -0.923 . . . . 52.42 108.509 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.625 ' HG3' HG22 ' A' ' 69' ' ' ILE . 97.0 mt-30 68.26 21.4 8.48 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.596 0.56 . . . . 62.22 110.848 -178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.2 tp -97.26 126.25 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.72 -0.673 . . . . 61.5 109.197 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -123.92 107.81 11.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.176 0.513 . . . . 75.12 109.685 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 p -155.81 145.1 20.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.365 -0.834 . . . . 71.51 110.669 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' A' ' 45' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.361 0 C-N-CA 121.072 -0.585 . . . . 44.31 113.857 171.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.434 0 N-CA-C 109.694 -0.484 . . . . 72.04 109.694 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -119.21 81.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.857 0.36 . . . . 72.35 110.388 -176.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -52.03 -52.87 48.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.734 0.642 . . . . 75.12 112.734 -172.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -70.89 -25.26 62.71 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.858 -0.337 . . . . 65.43 111.071 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.06 -50.94 24.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.132 -0.692 . . . . 71.13 109.132 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.513 ' HG3' HG21 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -51.27 -47.2 62.57 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.043 -0.526 . . . . 74.31 110.426 173.509 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.47 -47.48 83.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.671 -0.695 . . . . 73.45 110.671 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.74 -48.58 80.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.849 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.24 -41.22 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.38 . . . . 75.31 110.838 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -66.01 -30.98 71.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 75.13 111.06 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -80.42 -32.99 37.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.511 -0.313 . . . . 71.44 111.018 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.26 -47.44 43.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.134 0.493 . . . . 63.32 110.433 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -131.58 99.46 17.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.607 -0.724 . . . . 74.13 109.812 178.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.7 -26.76 45.49 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.63 2.22 . . . . 74.32 112.101 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -96.54 35.33 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.625 -0.716 . . . . 73.54 110.365 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.45 139.86 49.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 74.4 111.993 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.692 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 13.9 mm-40 -91.48 119.72 31.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.58 -0.736 . . . . 74.04 109.516 171.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.513 HG21 ' HG3' ' A' ' 12' ' ' GLU . 4.6 mp -99.92 110.98 28.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.816 0.341 . . . . 75.31 110.115 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.556 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 22.9 m -115.31 107.75 15.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.058 0.456 . . . . 60.33 111.049 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.7 t -84.05 107.77 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.865 -0.607 . . . . 74.44 109.64 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -109.27 142.68 39.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.38 0.61 . . . . 63.14 111.503 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 m -93.64 130.9 39.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.35 -0.841 . . . . 51.11 109.8 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.02 -36.75 75.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.568 -0.287 . . . . 71.35 111.032 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t 61.72 89.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.527 0.679 . . . . 71.32 109.785 -175.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.52 -41.24 1.57 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.181 -1.167 . . . . 63.24 110.181 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -117.47 102.41 9.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.411 -0.959 . . . . 71.24 108.411 169.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -112.55 17.31 19.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.792 0.329 . . . . 73.15 111.834 -173.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.33 -30.03 68.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.208 0.528 . . . . 61.41 110.347 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.39 163.88 32.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.592 -0.731 . . . . 54.44 109.361 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -105.77 153.38 21.96 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.371 -0.604 . . . . 71.31 109.371 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m -91.75 133.93 35.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.851 0.358 . . . . 63.0 110.703 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mm -99.61 107.27 20.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.087 -0.506 . . . . 73.4 109.886 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 54.0 mtpt -92.45 121.51 33.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.003 -0.544 . . . . 73.43 110.116 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.86 111.83 37.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.99 -0.55 . . . . 63.22 110.552 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.692 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 45.7 mm -105.52 98.62 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.621 -0.511 . . . . 73.31 109.621 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 27.2 t -131.94 141.98 49.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.107 0.48 . . . . 71.22 111.208 -178.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.3 m -66.53 -5.12 10.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.46 -0.791 . . . . 73.12 111.047 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -84.77 -6.45 59.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.282 -0.417 . . . . 53.44 111.235 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD2' ' HB3' ' A' ' 42' ' ' SER . 67.6 m-85 -102.92 8.46 39.11 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 111.973 0.36 . . . . 62.12 111.973 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -72.13 123.5 23.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.57 0.7 . . . . 75.13 111.099 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.4 9.37 86.58 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.437 -0.801 . . . . 61.23 113.118 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 3.7 mptp? -81.73 130.86 35.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.452 0.644 . . . . 74.22 111.034 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 22.8 p -85.0 163.84 18.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.834 -1.075 . . . . 74.4 109.831 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -59.08 -39.97 83.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 121.062 -0.255 . . . . 71.43 111.088 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.42 -49.14 78.77 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.174 0.512 . . . . 63.51 109.843 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.429 ' CD ' ' HG3' ' A' ' 48' ' ' LYS . 62.8 tt0 -59.62 -49.6 77.13 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.179 -0.919 . . . . 71.2 110.706 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 49' ' ' SER . 79.7 mt-30 -55.21 -47.6 75.07 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.998 -0.546 . . . . 70.33 110.745 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -60.41 -45.93 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 75.33 110.649 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -61.41 -42.86 99.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 111.627 0.232 . . . . 74.14 111.627 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 73.3 mtm -63.35 -46.84 84.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.543 0.211 . . . . 75.15 111.165 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 71' ' ' ILE . 82.7 mt -59.58 -47.27 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.182 0.515 . . . . 62.1 110.281 177.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -61.27 -32.49 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.573 -0.74 . . . . 75.23 110.944 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -75.1 -50.61 15.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.536 . . . . 73.42 111.261 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.11 -34.62 64.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.641 -0.254 . . . . 74.32 111.336 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -79.22 -38.89 34.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.685 -0.487 . . . . 70.44 109.685 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 50.55 75.35 0.18 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.496 -0.775 . . . . 64.21 111.347 -177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 174.01 -162.5 33.12 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 110.343 -1.103 . . . . 43.43 110.343 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.92 114.75 26.4 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.955 0.407 . . . . 63.23 110.185 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 . . . . . 0 C--N 1.321 -0.669 0 CA-C-N 115.978 -0.555 . . . . 65.22 109.883 -177.86 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.8 mm . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.266 0.555 . . . . 52.42 111.35 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -94.24 -45.2 7.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.681 0.753 . . . . 62.22 109.555 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.567 HG21 HD13 ' A' ' 57' ' ' ILE . 2.7 tp -114.46 126.04 71.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.933 -1.03 . . . . 61.5 110.169 -175.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.55 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 10.1 mm100 -127.0 120.41 28.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.968 0.413 . . . . 75.12 110.67 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 m -116.05 119.98 37.6 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.679 -0.489 . . . . 71.51 109.679 175.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.545 0 C-N-CA 120.687 -0.768 . . . . 44.31 111.646 -176.45 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.446 HG22 HG21 ' A' ' 26' ' ' VAL . 38.0 p . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.14 0.495 . . . . 72.04 111.54 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -99.82 99.84 10.7 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.796 -0.816 . . . . 72.35 108.796 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 t -55.16 -38.49 68.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.928 -1.033 . . . . 75.12 111.611 -171.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.35 -53.98 52.03 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.128 -0.229 . . . . 65.43 111.238 -177.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 12' ' ' GLU . 4.6 pp -71.62 -33.51 69.03 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.842 -0.343 . . . . 71.13 111.39 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.505 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.14 -49.66 69.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.103 0.478 . . . . 74.31 109.823 177.132 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.587 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 2.3 tt -60.34 -36.37 77.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.405 -0.816 . . . . 73.45 110.733 177.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.54 -50.89 72.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 72.01 110.203 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 11' ' ' LEU . 49.6 mm -62.71 -44.58 99.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.998 0.428 . . . . 75.31 110.534 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 tpt85 -64.15 -37.68 88.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 75.13 111.457 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.587 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 22.0 m-80 -80.83 -34.63 33.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.467 -0.333 . . . . 71.44 111.14 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -43.86 78.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.767 0.317 . . . . 63.32 110.354 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.16 104.86 16.48 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.527 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.2 -13.43 36.05 Favored 'Trans proline' 0 CA--C 1.528 0.199 0 C-N-CA 122.71 2.273 . . . . 74.32 111.954 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -98.97 16.57 22.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.716 -0.675 . . . . 73.54 110.198 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.9 129.64 51.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.961 -0.563 . . . . 74.4 111.714 -176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.743 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 37.3 tt0 -100.0 117.63 34.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.289 -0.869 . . . . 74.04 109.038 172.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 24' ' ' ILE . 4.4 mp -96.23 110.69 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.963 -0.384 . . . . 75.31 109.963 -178.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 89.4 m -116.7 108.28 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.787 0.327 . . . . 60.33 110.505 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.446 HG21 HG22 ' A' ' 7' ' ' THR . 19.1 m -84.3 126.27 40.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.253 0.549 . . . . 74.44 110.449 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 17.1 m -121.68 122.71 40.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.89 -0.596 . . . . 63.14 111.055 -177.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.0 t -78.82 122.08 25.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.215 -0.661 . . . . 51.11 109.215 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 35' ' ' HIS . 10.7 mp -66.54 105.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 71.35 110.827 -177.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.36 134.14 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 71.32 110.785 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.14 -69.78 0.28 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.831 -0.699 . . . . 63.24 111.887 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.39 -40.78 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.668 0.27 . . . . 71.24 111.297 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.73 43.83 14.93 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.587 0.708 . . . . 73.15 109.294 -169.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -65.72 -25.93 67.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.395 -0.82 . . . . 61.41 110.612 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.475 ' O ' HD13 ' A' ' 29' ' ' LEU . 72.7 m80 -146.43 172.45 13.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.56 -0.904 . . . . 54.44 108.56 178.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.37 126.86 55.74 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.147 -0.686 . . . . 71.31 109.147 174.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.468 ' HB2' HD11 ' A' ' 29' ' ' LEU . 28.0 t -86.79 120.9 28.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.976 0.417 . . . . 63.0 110.149 -176.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 tt -100.06 105.61 17.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.592 0.711 . . . . 73.4 110.222 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.562 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 27.2 mtpp -85.9 109.56 18.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.472 -0.785 . . . . 73.43 109.227 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.541 ' HB ' HG22 ' A' ' 73' ' ' THR . 41.3 t -101.25 104.26 16.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.17 0.51 . . . . 63.22 109.937 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.743 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 48.6 mm -95.95 105.4 17.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.679 -0.691 . . . . 73.31 109.851 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 18.8 m -138.86 133.38 31.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.959 -0.564 . . . . 71.22 110.077 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 t -62.05 -19.97 63.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.725 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -23.83 67.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 53.44 111.201 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 75.0 m-85 -88.33 -5.03 58.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.561 0.219 . . . . 62.12 111.093 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -65.06 116.6 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 75.13 111.028 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.96 17.98 78.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.99 -0.624 . . . . 61.23 113.277 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.784 ' HE2' ' HG3' ' A' ' 52' ' ' GLU . 14.1 mmmm -89.9 142.3 27.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.055 0.427 . . . . 74.22 110.337 177.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.03 167.8 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.733 -0.667 . . . . 74.4 111.114 -179.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -66.75 -31.11 71.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.404 . . . . 71.43 110.451 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.1 -39.47 94.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.314 0.578 . . . . 63.51 110.194 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.784 ' HG3' ' HE2' ' A' ' 48' ' ' LYS . 44.3 mm-40 -59.79 -44.9 93.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.152 -0.931 . . . . 71.2 109.87 176.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.05 -44.43 87.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.597 -0.729 . . . . 70.33 110.186 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -55.62 -51.58 66.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.649 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -56.49 -53.73 54.06 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.262 0.351 . . . . 74.14 111.12 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.2 mmm -57.07 -53.68 55.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.9 -0.591 . . . . 75.15 111.387 -175.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.557 HG23 HD13 ' A' ' 71' ' ' ILE . 71.0 mt -61.57 -45.75 98.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.467 -0.333 . . . . 62.1 111.014 -178.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -64.78 -31.67 73.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.957 -0.565 . . . . 75.23 111.308 -176.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.749 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -84.05 -44.13 14.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.565 -0.289 . . . . 73.42 111.569 -179.538 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.55 -49.25 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 74.32 111.098 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.42 ' CD2' HD12 ' A' ' 71' ' ' ILE . 4.6 mm? -87.58 24.3 1.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.217 0.532 . . . . 70.44 110.368 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.68 101.45 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.556 -0.747 . . . . 64.21 111.404 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.03 54.04 0.47 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 109.943 -1.263 . . . . 43.43 109.943 172.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt 67.48 15.2 9.8 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.396 0.617 . . . . 63.23 110.525 -171.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.515 -0.378 0 CA-C-N 115.691 -0.686 . . . . 65.22 109.721 177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.0 pt . . . . . 0 CA--C 1.529 0.138 0 CA-C-O 120.741 0.305 . . . . 52.42 111.796 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.6 pm0 -103.5 4.29 35.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.048 0.452 . . . . 62.22 110.848 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.557 HD13 HG23 ' A' ' 57' ' ' ILE . 11.5 tt -105.61 139.56 26.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 61.5 111.438 -175.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.477 ' OE1' ' HG2' ' A' ' 39' ' ' LYS . 45.8 tt0 -127.57 108.62 10.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.72 -0.474 . . . . 75.12 109.72 172.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.541 HG22 ' HB ' ' A' ' 40' ' ' VAL . 14.6 p -115.17 132.97 56.44 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.248 -0.433 . . . . 71.51 110.768 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.874 0 C-N-CA 120.394 -0.907 . . . . 44.31 112.589 178.454 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m . . . . . 0 N--CA 1.449 -0.477 0 N-CA-C 109.948 -0.39 . . . . 72.04 109.948 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . 13.8 mm100 -86.87 73.87 9.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.836 -0.431 . . . . 72.35 109.836 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -66.88 -39.34 87.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.184 -0.462 . . . . 75.12 111.191 -174.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -68.43 -37.3 80.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.989 0.424 . . . . 65.43 110.3 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 8' ' ' GLN . 7.5 mp -71.91 -36.96 70.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.91 -0.586 . . . . 71.13 110.236 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.47 -50.05 75.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.353 -0.61 . . . . 74.31 109.353 174.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.79 -40.65 76.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.282 -0.872 . . . . 73.45 110.231 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.3 tp -58.84 -51.08 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.276 -0.42 . . . . 72.01 110.789 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mm -70.25 -43.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.998 -0.547 . . . . 75.31 110.894 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -65.34 -32.0 73.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.396 -0.366 . . . . 75.13 111.263 -178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.63 -35.73 33.57 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.16 -0.337 . . . . 71.44 110.583 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -45.8 67.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.305 -0.407 . . . . 63.32 110.69 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.32 98.27 23.61 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.938 -0.574 . . . . 74.13 110.0 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.16 -10.38 27.21 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.657 2.238 . . . . 74.32 111.63 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -103.78 18.46 21.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.449 -0.796 . . . . 73.54 110.679 -178.153 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.53 139.89 49.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.499 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -98.54 147.01 25.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.188 0.518 . . . . 74.04 111.721 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 38' ' ' ILE . 3.8 mp -103.96 111.06 32.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.371 -0.831 . . . . 75.31 110.65 -177.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.436 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 17.2 m -106.5 105.52 15.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.157 -0.474 . . . . 60.33 110.079 177.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 38' ' ' ILE . 48.2 t -86.36 113.39 24.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.184 0.516 . . . . 74.44 110.886 -176.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.9 m -98.34 120.08 38.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.474 -0.784 . . . . 63.14 110.171 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p -89.44 111.91 22.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.993 0.425 . . . . 51.11 110.483 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 29' ' ' LEU . 2.9 mm? -88.28 77.84 8.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.935 -0.394 . . . . 71.35 109.935 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -81.71 90.21 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.24 0.543 . . . . 71.32 110.465 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' ASP . . . -147.26 74.86 0.28 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.476 -0.784 . . . . 63.24 111.671 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 3.8 m-20 71.22 7.92 6.26 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.232 0.613 . . . . 71.24 111.611 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.421 ' OD1' ' HB2' ' A' ' 35' ' ' HIS . 8.0 p30 -158.97 163.68 36.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.914 -0.402 . . . . 73.15 109.914 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -103.96 84.72 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.271 -0.422 . . . . 61.41 110.695 176.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.421 ' HB2' ' OD1' ' A' ' 33' ' ' ASN . 41.1 t-80 -112.09 128.85 56.32 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.523 -0.547 . . . . 54.44 109.523 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -116.92 127.39 54.2 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.768 0.318 . . . . 71.31 110.194 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.3 m -119.76 133.42 55.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.02 -0.536 . . . . 63.0 109.869 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 24' ' ' ILE . 53.4 mt -99.85 119.58 48.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.316 -0.402 . . . . 73.4 111.185 -177.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 28.7 mtpp -90.96 120.73 32.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.861 -0.608 . . . . 73.43 110.015 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.5 t -90.03 109.16 20.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.62 -0.718 . . . . 63.22 109.74 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -101.9 117.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.698 -0.683 . . . . 73.31 110.805 -176.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -161.05 144.99 13.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.731 -0.668 . . . . 71.22 109.617 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.5 m -66.21 -11.51 50.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 73.12 111.035 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -79.81 -13.03 59.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 53.44 110.566 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -95.67 -10.55 29.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.159 0.504 . . . . 62.12 110.005 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -75.98 130.99 39.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.459 -0.571 . . . . 75.13 109.459 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.12 -23.92 34.03 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.731 -0.747 . . . . 61.23 111.799 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.779 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.9 mmpt? -63.35 145.95 54.52 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.916 0.389 . . . . 74.22 110.727 173.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.4 m -80.35 156.5 26.71 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.136 -0.69 . . . . 74.4 109.136 171.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.91 -41.77 75.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.898 0.38 . . . . 71.43 110.467 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.76 -42.49 99.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.808 -0.633 . . . . 63.51 110.108 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.96 -52.7 63.24 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.88 0.372 . . . . 71.2 110.586 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.458 ' O ' HG12 ' A' ' 57' ' ' ILE . 79.9 mt-30 -59.87 -41.32 91.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.645 -0.707 . . . . 70.33 110.672 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -64.54 -40.2 95.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.329 -0.396 . . . . 75.33 111.232 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -66.58 -49.84 65.04 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.962 0.164 . . . . 74.14 111.288 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.7 ptm -62.38 -39.32 92.83 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.895 -0.322 . . . . 75.15 110.705 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 53' ' ' GLN . 34.9 mm -69.49 -43.19 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.378 . . . . 62.1 110.48 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -57.75 -37.17 73.17 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.822 -0.626 . . . . 75.23 110.66 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -79.82 -50.42 10.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.611 . . . . 73.42 111.328 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.54 -38.31 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.464 -0.335 . . . . 74.32 111.887 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.05 -2.61 38.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.798 -0.183 . . . . 70.44 111.2 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 58.18 29.69 18.31 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.369 0.604 . . . . 64.21 111.411 172.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.91 112.0 4.3 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.749 -0.738 . . . . 43.43 111.421 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 tt -100.5 114.04 27.32 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.867 -0.42 . . . . 63.23 109.867 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 t30 . . . . . 0 C--O 1.235 0.313 0 CA-C-N 115.575 -0.738 . . . . 65.22 111.312 -179.672 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 pt . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.44 0.638 . . . . 52.42 110.772 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -89.26 -28.66 19.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.57 -0.741 . . . . 62.22 110.14 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.6 tt -122.65 129.08 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.048 -0.524 . . . . 61.5 110.818 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.586 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 9.1 mm100 -124.4 148.01 47.86 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.527 -0.76 . . . . 75.12 109.201 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 p -108.91 -174.3 2.48 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.901 -0.319 . . . . 71.51 111.179 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.692 0 C-N-CA 120.674 -0.774 . . . . 44.31 111.585 176.655 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.527 HG21 HG21 ' A' ' 26' ' ' VAL . 14.6 t . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.49 -0.559 . . . . 72.04 109.49 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.532 ' HG3' ' H ' ' A' ' 11' ' ' LEU . 6.1 tp-100 -64.01 112.28 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.959 -0.386 . . . . 72.35 109.959 176.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -57.06 -34.42 68.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.748 -0.66 . . . . 75.12 111.387 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.63 -37.35 84.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 65.43 110.571 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.532 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 3.0 tt -70.84 -42.0 70.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.382 -0.599 . . . . 71.13 109.382 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -58.22 -48.61 79.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.693 -0.685 . . . . 74.31 109.649 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.07 -38.25 82.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.435 -0.802 . . . . 73.45 110.915 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.99 -47.66 83.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.481 . . . . 72.01 109.882 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.73 -39.97 87.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.575 -0.284 . . . . 75.31 110.545 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.49 -35.59 78.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.337 . . . . 75.13 111.197 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -76.46 -33.52 58.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.801 0.334 . . . . 71.44 110.949 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.0 -48.42 53.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.054 0.454 . . . . 63.32 110.16 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -135.34 97.2 13.36 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.898 -0.592 . . . . 74.13 109.538 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.91 -20.42 51.42 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.642 2.228 . . . . 74.32 112.912 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.86 15.63 27.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.937 0.398 . . . . 73.54 110.759 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -95.79 129.4 43.03 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.103 -0.499 . . . . 74.4 109.998 175.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -88.86 126.67 35.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.996 -0.547 . . . . 74.04 109.718 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.17 110.97 21.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.794 -0.639 . . . . 75.31 110.39 -177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.46 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 8.0 m -113.23 105.41 13.39 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.734 -0.386 . . . . 60.33 110.423 174.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 7' ' ' THR . 52.3 t -98.06 106.73 19.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.04 0.448 . . . . 74.44 109.902 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -110.18 147.74 33.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.879 -0.6 . . . . 63.14 110.571 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -96.44 137.67 35.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.903 -0.59 . . . . 51.11 109.689 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 32' ' ' ASP . 8.6 mp -68.29 138.59 55.6 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.985 -0.376 . . . . 71.35 109.985 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -63.36 91.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.593 0.711 . . . . 71.32 111.486 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.24 -11.7 10.61 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.844 -0.616 . . . . 63.24 112.103 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.544 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -121.03 103.43 9.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.721 0.296 . . . . 71.24 110.709 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -86.29 -14.17 44.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.035 0.445 . . . . 73.15 110.351 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -88.7 -45.94 9.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.897 -0.592 . . . . 61.41 110.229 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -85.05 126.26 33.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.095 -0.502 . . . . 54.44 110.566 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -118.22 152.92 34.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.825 -0.435 . . . . 71.31 109.825 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.8 m -119.98 129.42 54.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.686 -0.487 . . . . 63.0 109.686 175.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.32 102.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.6 0.714 . . . . 73.4 109.957 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 27.8 ttpp -89.43 109.89 20.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.094 -0.957 . . . . 73.43 110.083 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' A' ' 22' ' ' ALA . 97.2 t -96.92 125.43 49.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.619 -0.718 . . . . 63.22 110.639 -177.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.484 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.9 mt -111.52 131.48 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.811 0.338 . . . . 73.31 110.898 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 35.2 t -162.78 148.38 12.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.701 -0.681 . . . . 71.22 109.393 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -56.83 -32.7 66.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 73.12 111.157 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -67.91 -14.52 63.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.538 -0.301 . . . . 53.44 111.402 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.831 ' HB3' HE22 ' A' ' 53' ' ' GLN . 58.4 m-85 -96.81 -7.17 34.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 62.12 110.758 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -87.49 131.82 34.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 75.13 110.366 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.96 -22.83 38.81 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.124 -0.56 . . . . 61.23 111.928 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -79.03 148.68 32.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.616 0.246 . . . . 74.22 110.447 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.2 m -87.18 158.75 19.07 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.1 -0.704 . . . . 74.4 109.1 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -52.24 -37.74 56.12 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.38 0.511 . . . . 71.43 112.38 -176.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -49.77 76.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.857 -0.423 . . . . 63.51 109.857 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -57.12 -45.76 83.2 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.885 -0.598 . . . . 71.2 110.123 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.831 HE22 ' HB3' ' A' ' 45' ' ' PHE . 13.4 mm100 -54.75 -47.5 73.78 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.119 -0.946 . . . . 70.33 110.637 177.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -63.86 -36.89 85.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.665 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 87.2 mtt180 -62.59 -54.85 33.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.731 0.3 . . . . 74.14 111.089 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.2 ptm -68.46 -33.86 74.94 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.581 -0.448 . . . . 75.15 110.837 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.448 ' HA ' HG12 ' A' ' 60' ' ' VAL . 27.5 mm -66.87 -41.44 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.778 0.323 . . . . 62.1 110.341 175.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -66.73 -31.83 72.74 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.995 -0.282 . . . . 75.23 110.874 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 55' ' ' ARG . 30.1 mmmt -80.06 -27.37 39.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.452 -0.499 . . . . 73.42 111.666 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 57' ' ' ILE . 9.3 p -81.03 -23.56 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.368 0.604 . . . . 74.32 110.2 173.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.1 33.72 3.97 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.992 -0.744 . . . . 70.44 108.992 174.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -68.44 130.49 43.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.145 -0.934 . . . . 64.21 112.125 -171.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.65 -25.92 4.96 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.764 -0.653 . . . . 43.43 112.3 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.5 mt -100.94 -163.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.607 0.241 . . . . 63.23 110.708 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 65.22 110.636 177.401 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.8 tt . . . . . 0 CA--C 1.53 0.186 0 CA-C-O 121.217 0.532 . . . . 52.42 110.497 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.47 -23.41 61.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.878 -0.601 . . . . 62.22 110.218 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.0 tt -136.41 134.68 49.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.34 -0.845 . . . . 61.5 109.111 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.571 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -140.59 163.35 33.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.771 -0.455 . . . . 75.12 109.771 -173.497 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 40' ' ' VAL . 14.5 p -135.07 149.53 50.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.857 0.361 . . . . 71.51 111.18 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.962 -0.637 . . . . 44.31 112.132 179.653 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.46 ' O ' ' HB3' ' A' ' 8' ' ' GLN . 2.9 m . . . . . 0 N--CA 1.451 -0.413 0 N-CA-C 109.604 -0.517 . . . . 72.04 109.604 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.625 HE22 HG21 ' A' ' 26' ' ' VAL . 23.6 tt0 75.83 1.64 3.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.088 0.47 . . . . 72.35 111.234 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -64.74 -40.09 94.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.494 -0.321 . . . . 75.12 110.523 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -66.3 -38.68 88.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.395 -0.366 . . . . 65.43 110.293 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.526 HD11 HG21 ' A' ' 38' ' ' ILE . 3.4 tm? -61.36 -49.45 76.89 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.139 -0.482 . . . . 71.13 109.784 176.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -58.88 -45.5 90.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.617 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -56.59 -47.99 78.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.02 -0.536 . . . . 73.45 110.172 176.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.17 -50.98 71.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.924 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -63.66 -43.08 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 75.31 111.097 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -29.22 63.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.823 0.344 . . . . 75.13 110.741 -177.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.421 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -78.85 -28.44 44.25 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.832 -0.347 . . . . 71.44 110.186 178.606 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.33 -46.53 22.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.303 -0.408 . . . . 63.32 110.747 175.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.554 ' HZ ' HG11 ' A' ' 60' ' ' VAL . 54.1 m-85 -114.62 98.42 49.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 74.13 110.249 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -76.23 -10.83 19.34 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 122.549 2.166 . . . . 74.32 113.41 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.65 30.56 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.105 0.478 . . . . 73.54 110.453 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -113.27 139.28 48.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.102 -0.499 . . . . 74.4 112.175 -176.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -100.66 120.01 39.43 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.389 -0.967 . . . . 74.04 108.389 167.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 mt -88.73 110.49 21.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.082 -0.508 . . . . 75.31 110.883 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 33.1 m -109.67 105.58 14.9 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.71 -0.478 . . . . 60.33 109.71 176.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.625 HG21 HE22 ' A' ' 8' ' ' GLN . 18.5 m -86.87 128.24 39.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.237 0.541 . . . . 74.44 110.596 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.795 HG23 ' HB2' ' A' ' 37' ' ' SER . 2.0 t -111.22 119.31 38.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.525 0.679 . . . . 63.14 110.334 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.5 m -94.27 127.29 40.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.067 -0.97 . . . . 51.11 110.411 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mp -88.31 152.65 21.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.187 -0.46 . . . . 71.35 109.964 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.75 132.98 19.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.156 0.503 . . . . 71.32 111.209 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 33' ' ' ASN . . . 120.53 -50.62 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.88 -0.676 . . . . 63.24 112.259 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 69.99 -18.31 0.23 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.344 0.657 . . . . 71.24 112.496 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 31' ' ' GLY . 26.9 t-20 -68.14 -31.03 70.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.146 0.498 . . . . 73.15 110.055 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -82.32 -177.99 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.493 -0.776 . . . . 61.41 109.844 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.788 ' HB2' HE22 ' A' ' 70' ' ' GLN . 28.7 m-70 -86.44 172.33 10.45 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 121.003 -0.279 . . . . 54.44 110.508 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -103.85 163.45 12.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.277 -0.42 . . . . 71.31 110.094 -176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.795 ' HB2' HG23 ' A' ' 27' ' ' THR . 35.8 m -108.94 145.16 35.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.882 0.372 . . . . 63.0 110.24 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.526 HG21 HD11 ' A' ' 11' ' ' LEU . 20.2 pt -107.46 114.15 45.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.344 0.592 . . . . 73.4 111.069 -177.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 54.7 tttm -97.38 108.36 21.07 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.649 -0.871 . . . . 73.43 108.649 175.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' HB ' HG22 ' A' ' 73' ' ' THR . 54.0 t -105.36 116.52 49.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.953 -0.567 . . . . 63.22 110.659 -174.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 45.3 mm -94.73 108.41 20.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.998 -0.546 . . . . 73.31 110.242 178.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.485 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 15.0 m -137.63 145.61 42.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.078 -0.51 . . . . 71.22 109.923 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -59.52 -25.48 64.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.334 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -76.28 -13.15 60.17 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.342 -0.39 . . . . 53.44 111.563 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 53.5 m-85 -103.84 -6.66 21.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 62.12 111.475 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -71.48 116.51 11.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.088 0.47 . . . . 75.13 111.041 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.62 18.22 66.52 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.662 -0.699 . . . . 61.23 112.793 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -95.88 139.63 31.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.04 0.447 . . . . 74.22 111.404 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.4 m -83.55 172.68 12.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.541 -0.754 . . . . 74.4 109.974 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -64.5 -31.98 73.42 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 112.146 0.425 . . . . 71.43 112.146 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.02 -47.27 85.5 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.248 -0.649 . . . . 63.51 109.248 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.43 -42.08 99.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.189 -0.914 . . . . 71.2 110.019 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' O ' HG12 ' A' ' 57' ' ' ILE . 82.3 mm-40 -58.11 -45.82 86.62 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.919 -0.582 . . . . 70.33 110.444 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -54.66 -52.33 62.68 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.423 -0.353 . . . . 75.33 110.398 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -54.67 -54.42 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 74.14 110.944 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.8 mmm -61.34 -53.55 55.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.658 -0.701 . . . . 75.15 111.38 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 53' ' ' GLN . 33.7 mm -61.45 -48.79 87.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.559 -0.291 . . . . 62.1 111.231 -176.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -68.29 -32.15 72.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.605 -0.438 . . . . 75.23 111.628 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 25.5 mmtm -80.73 -32.01 35.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.473 0.545 . . . . 73.42 112.473 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.554 HG11 ' HZ ' ' A' ' 19' ' ' PHE . 9.9 p -81.06 -31.07 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.646 -0.421 . . . . 74.32 110.871 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -86.33 -13.26 47.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.137 -0.32 . . . . 70.44 110.137 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 73.28 -56.32 0.66 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.163 0.915 . . . . 64.21 112.02 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -91.67 112.66 4.21 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 115.192 -0.913 . . . . 43.43 112.224 -176.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.776 HD23 ' H ' ' A' ' 64' ' ' LEU . 2.2 pt? -77.54 2.96 14.78 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.919 0.39 . . . . 63.23 110.689 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 65.22 111.034 178.276 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.49 ' O ' HG12 ' A' ' 69' ' ' ILE . 11.3 tt . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 121.514 0.673 . . . . 52.42 112.515 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.788 HE22 ' HB2' ' A' ' 35' ' ' HIS . 94.5 mt-30 -129.07 16.75 6.18 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.626 -0.671 . . . . 62.22 110.899 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.0 tp -97.28 125.23 50.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.095 -0.502 . . . . 61.5 109.824 176.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 41.5 mt-30 -123.29 108.19 12.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.088 0.471 . . . . 75.12 109.733 173.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.472 HG22 ' HB ' ' A' ' 40' ' ' VAL . 1.6 p -135.47 141.07 45.3 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.85 -0.614 . . . . 71.51 110.583 -176.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.797 0 C-N-CA 120.121 -1.037 . . . . 44.31 112.961 177.548 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t . . . . . 0 N--CA 1.451 -0.405 0 N-CA-C 110.225 -0.287 . . . . 72.04 110.225 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.33 111.4 23.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.757 -0.46 . . . . 72.35 109.757 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -52.06 -52.34 51.75 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.411 -0.813 . . . . 75.12 112.005 -173.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.03 -50.22 74.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.734 0.302 . . . . 65.43 111.732 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.75 -45.97 84.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.929 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HG3' HG21 ' A' ' 24' ' ' ILE . 21.8 tt0 -67.0 -44.01 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.828 0.346 . . . . 74.31 110.24 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.51 -38.65 72.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.568 . . . . 73.45 110.383 177.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.25 -49.29 78.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 72.01 110.176 178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.7 mt -66.89 -38.93 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.008 -0.542 . . . . 75.31 110.745 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 16' ' ' ARG . 10.0 mmm180 -62.64 -36.6 83.35 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.883 0.373 . . . . 75.13 111.408 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -75.59 -41.26 55.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 71.44 110.953 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.89 -52.57 23.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 63.32 111.187 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -137.45 93.1 12.94 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 74.13 109.753 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.26 -26.94 71.91 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.463 2.109 . . . . 74.32 111.898 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.96 11.97 32.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.709 -0.678 . . . . 73.54 111.368 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.23 143.08 29.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.499 -0.319 . . . . 74.4 110.722 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.738 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 40.5 tt0 -81.35 110.58 16.93 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.955 -0.387 . . . . 74.04 109.955 177.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.427 HG21 ' HG3' ' A' ' 12' ' ' GLU . 53.8 mt -101.04 110.88 29.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.097 -0.502 . . . . 75.31 109.956 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.8 m -123.41 112.8 17.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.102 0.477 . . . . 60.33 110.569 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 m -83.18 114.33 23.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.204 0.526 . . . . 74.44 110.06 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.802 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 21.0 m -93.84 105.59 17.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.031 -0.531 . . . . 63.14 109.942 -177.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -91.63 101.09 13.71 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.429 -0.805 . . . . 51.11 110.402 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 29' ' ' LEU . 2.7 pt? -137.7 142.13 41.06 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.939 -0.763 . . . . 71.35 108.939 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -167.73 114.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.516 0.674 . . . . 71.32 111.608 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.39 -53.24 0.46 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 109.526 -1.43 . . . . 63.24 109.526 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -95.14 149.12 21.64 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.103 -1.073 . . . . 71.24 108.103 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -64.07 101.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.111 0.482 . . . . 73.15 111.728 -174.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -145.31 -169.43 3.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.818 -0.808 . . . . 61.41 108.818 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -89.82 -176.67 5.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.274 -0.269 . . . . 54.44 110.274 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -103.52 168.17 9.33 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.135 -0.321 . . . . 71.31 110.135 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.802 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 8.2 t -101.39 130.05 47.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.022 0.439 . . . . 63.0 110.945 -173.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.1 mt -100.07 104.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.067 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.671 ' HD3' HG12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -93.7 112.89 24.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.694 -0.484 . . . . 73.43 109.694 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -118.85 113.26 41.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.065 -0.516 . . . . 63.22 110.55 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.738 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 44.3 mm -100.16 111.55 30.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.16 0.505 . . . . 73.31 110.07 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -143.29 126.55 16.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.542 -0.754 . . . . 71.22 109.55 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 m -65.28 -9.55 25.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.087 0.47 . . . . 73.12 111.55 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -88.37 -1.42 58.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.24 -0.436 . . . . 53.44 111.577 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.82 -11.28 59.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.237 0.541 . . . . 62.12 110.023 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -98.77 143.75 28.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.416 -0.811 . . . . 75.13 109.573 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.71 -6.23 60.5 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.617 -0.801 . . . . 61.23 112.169 -177.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -101.39 141.71 33.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.713 -0.477 . . . . 74.22 109.713 173.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -60.75 157.69 14.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.898 -0.592 . . . . 74.4 111.329 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 14.0 ttmm -54.39 -45.05 72.8 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.853 -0.612 . . . . 71.43 110.26 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.53 -42.72 97.08 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.723 -0.671 . . . . 63.51 111.317 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -66.15 -38.46 88.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.135 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -60.97 -47.55 85.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 70.33 109.928 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' HIS . . . . . 0.408 ' CE1' ' HG2' ' A' ' 50' ' ' LYS . 38.4 m80 -63.47 -33.81 76.39 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.282 -0.417 . . . . 75.33 110.383 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -50.25 69.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.776 -0.647 . . . . 74.14 110.716 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.8 ptm -70.23 -33.6 71.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.505 -0.316 . . . . 75.15 110.889 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.87 -43.25 98.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.203 0.525 . . . . 62.1 109.741 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -61.39 -36.67 80.93 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.678 -0.692 . . . . 75.23 110.984 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -68.71 -46.57 68.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.348 0.499 . . . . 73.42 112.348 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.534 HG13 ' HG ' ' A' ' 61' ' ' LEU . 11.1 p -74.85 -36.3 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 112.179 0.437 . . . . 74.32 112.179 -173.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.653 HD11 ' HB ' ' A' ' 71' ' ' ILE . 70.1 mt -106.19 -19.53 13.68 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.324 0.49 . . . . 70.44 112.324 -176.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 55.45 74.64 0.36 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.569 0.699 . . . . 64.21 109.511 -170.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.03 92.49 0.31 Allowed Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.378 -0.915 . . . . 43.43 113.228 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.7 mt -82.64 -2.79 54.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.671 0.748 . . . . 63.23 109.222 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 114.776 -1.102 . . . . 65.22 108.783 174.175 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.0 tp . . . . . 0 N--CA 1.455 -0.201 0 CA-C-O 120.827 0.346 . . . . 52.42 110.337 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -79.29 -14.47 59.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.381 0.61 . . . . 62.22 110.254 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.653 ' HB ' HD11 ' A' ' 61' ' ' LEU . 8.0 tp -127.69 134.1 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.792 -0.64 . . . . 61.5 109.922 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . 6.2 tp-100 -127.86 108.56 10.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.215 0.531 . . . . 75.12 110.299 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 p -141.9 119.93 12.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.495 -0.775 . . . . 71.51 109.979 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.573 0 C-N-CA 120.746 -0.74 . . . . 44.31 111.85 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.0 Cg_endo . . . . . 0 N--CA 1.479 0.655 0 N-CA-C 110.776 -0.509 . . . . 72.44 110.776 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 97.54 -110.27 4.0 Favored Glycine 0 N--CA 1.447 -0.613 0 C-N-CA 120.998 -0.62 . . . . 35.53 112.095 177.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 m -78.16 95.08 4.85 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.849 0.356 . . . . 54.01 110.722 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.49 ' CE ' ' HA ' ' A' ' 4' ' ' MET . 19.0 mmt -73.0 -33.33 65.72 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.289 -0.634 . . . . 73.21 109.289 174.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.6 m -94.12 109.71 21.47 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.528 -0.916 . . . . 71.41 108.528 170.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.425 HG23 ' HB3' ' A' ' 9' ' ' SER . 28.4 m -87.29 141.5 14.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.147 0.499 . . . . 75.41 111.722 -172.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -83.42 158.67 22.0 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.88 -0.785 . . . . 72.04 108.88 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 59.07 28.18 17.37 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.416 0.627 . . . . 72.35 109.749 -175.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.425 ' HB3' HG23 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -59.68 -38.99 83.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.027 -0.988 . . . . 75.12 111.648 -176.557 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -65.48 -35.21 80.2 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.126 -0.23 . . . . 65.43 110.57 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 38' ' ' ILE . 3.4 mm? -67.41 -48.81 66.23 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.872 0.367 . . . . 71.13 110.227 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.522 ' HA ' HG21 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -59.06 -54.35 48.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.607 -0.724 . . . . 74.31 109.627 178.037 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.08 -43.2 99.24 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.331 -0.849 . . . . 73.45 111.979 -176.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.83 -50.83 71.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.625 0.25 . . . . 72.01 111.173 -175.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.405 HD12 HD11 ' A' ' 38' ' ' ILE . 56.5 mt -72.29 -35.5 52.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.427 -0.351 . . . . 75.31 110.711 -177.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.9 tpp180 -63.86 -38.15 90.04 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.021 0.438 . . . . 75.13 110.812 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -83.6 -32.65 25.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.435 . . . . 71.44 111.329 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.91 -47.18 66.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.853 0.359 . . . . 63.32 110.316 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 91.9 m-85 -124.9 101.88 32.18 Favored Pre-proline 0 C--N 1.325 -0.468 0 N-CA-C 109.546 -0.538 . . . . 74.13 109.546 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -62.09 -26.27 78.04 Favored 'Trans proline' 0 CA--C 1.526 0.08 0 C-N-CA 122.791 2.327 . . . . 74.32 112.321 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -96.57 15.98 20.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.088 -0.505 . . . . 73.54 110.951 -178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -100.63 131.81 46.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.897 0.379 . . . . 74.4 111.09 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.597 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 10.1 tp10 -97.96 114.87 27.11 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.762 -0.653 . . . . 74.04 109.491 175.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.522 HG21 ' HA ' ' A' ' 12' ' ' GLU . 3.4 mp -88.29 111.36 22.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.058 0.456 . . . . 75.31 109.889 -179.606 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.494 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 32.1 m -110.34 124.18 51.21 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 109.748 -0.464 . . . . 60.33 109.748 176.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.4 m -83.12 120.74 34.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.162 0.505 . . . . 74.44 110.268 177.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.568 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 19.2 m -93.46 105.18 17.27 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.252 0.548 . . . . 63.14 109.733 -177.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 12.9 p -108.57 117.9 35.39 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.596 -0.729 . . . . 51.11 110.976 -176.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.9 mp -73.15 135.94 44.74 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.435 -0.95 . . . . 71.35 108.435 173.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.7 t -75.28 87.86 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.219 0.533 . . . . 71.32 110.688 -174.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.68 118.25 0.9 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 115.19 -0.914 . . . . 63.24 111.262 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -73.9 76.21 1.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.265 0.555 . . . . 71.24 111.441 -177.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 62.0 m-80 -145.55 -43.75 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.296 -0.865 . . . . 73.15 109.412 175.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -89.6 157.51 18.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.371 -0.832 . . . . 61.41 110.757 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -75.31 154.86 37.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.961 -0.563 . . . . 54.44 109.967 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -103.76 134.95 46.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.272 -0.422 . . . . 71.31 110.237 -174.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.568 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 12.7 m -91.66 165.5 13.28 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.84 -0.618 . . . . 63.0 110.714 -172.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.405 HD11 HD12 ' A' ' 15' ' ' ILE . 17.5 tt -118.23 126.73 75.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.623 -0.51 . . . . 73.4 109.623 175.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.494 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 76.5 tttt -108.45 116.99 33.01 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.957 -0.565 . . . . 73.43 110.149 -175.084 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 38.3 t -100.08 104.98 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.092 -0.503 . . . . 63.22 110.737 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.597 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 45.0 mm -98.25 96.21 5.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.487 -0.56 . . . . 73.31 109.487 177.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.4 t -140.08 134.74 31.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.114 0.483 . . . . 71.22 111.06 -176.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.2 p -63.07 -18.71 63.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.546 -0.752 . . . . 73.12 111.408 177.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -64.38 -23.08 67.16 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.849 0.357 . . . . 53.44 110.727 176.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -101.35 -4.14 27.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.352 -0.385 . . . . 62.12 111.099 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.435 HE21 ' HB2' ' A' ' 46' ' ' GLN . 6.4 tt0 -84.81 136.57 33.62 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.07 0.462 . . . . 75.13 110.521 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.09 -28.18 15.81 Favored Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 110.8 -0.92 . . . . 61.23 110.8 -174.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.778 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.2 mmpt? -72.55 139.35 47.46 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.466 -0.367 . . . . 74.22 110.507 175.181 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 50.9 m -74.9 166.7 23.21 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.442 -0.577 . . . . 74.4 109.442 175.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HG3' HD22 ' A' ' 51' ' ' LEU . 17.9 ptpt -56.59 -35.37 68.15 Favored 'General case' 0 CA--C 1.517 -0.306 0 C-N-CA 120.944 -0.302 . . . . 71.43 111.379 -177.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.581 HD22 ' H ' ' A' ' 51' ' ' LEU . 2.3 mm? -64.25 -45.17 89.34 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.984 0.421 . . . . 63.51 109.989 -178.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.413 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 46.3 mt-10 -61.67 -45.61 93.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.61 -0.723 . . . . 71.2 110.098 177.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.531 ' O ' HG13 ' A' ' 57' ' ' ILE . 89.0 mt-30 -61.69 -43.5 98.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.825 -0.625 . . . . 70.33 110.849 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 38.3 m170 -58.8 -46.43 87.61 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.666 0.27 . . . . 75.33 110.385 178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -60.34 -41.53 93.8 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.341 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.407 ' O ' ' HB2' ' A' ' 59' ' ' LYS . 93.3 mmm -66.61 -34.49 78.0 Favored 'General case' 0 N--CA 1.444 -0.736 0 C-N-CA 120.709 -0.397 . . . . 75.15 110.359 -178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.531 HG13 ' O ' ' A' ' 53' ' ' GLN . 73.7 mt -62.42 -42.62 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 N-CA-C 109.594 -0.521 . . . . 62.1 109.594 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -61.68 -31.79 71.94 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.064 -0.517 . . . . 75.23 111.062 175.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' NZ ' ' HB3' ' A' ' 59' ' ' LYS . 3.6 mmmp? -65.47 -57.16 8.94 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.76 0.314 . . . . 73.42 110.871 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.443 HG13 ' CD2' ' A' ' 61' ' ' LEU . 6.6 p -69.9 -38.68 76.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 116.412 -0.358 . . . . 74.32 111.649 -175.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.443 ' CD2' HG13 ' A' ' 60' ' ' VAL . 3.8 mm? -101.65 37.45 1.81 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.593 0.235 . . . . 70.44 110.97 179.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -62.46 -14.17 38.18 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.306 0.484 . . . . 64.21 112.306 -176.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.92 -16.29 76.45 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 120.942 -0.647 . . . . 43.43 112.792 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -137.19 147.45 45.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.764 0.316 . . . . 63.23 110.509 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.439 HD22 ' HA ' ' A' ' 65' ' ' ASN . 10.0 m120 -79.12 94.48 5.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.142 0.496 . . . . 65.22 110.029 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 45.9 mm -72.59 97.81 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.717 -0.674 . . . . 65.41 111.534 -174.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -123.74 20.08 9.37 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.359 -0.608 . . . . 73.33 109.359 173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -134.56 149.38 50.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.373 -0.83 . . . . 64.03 110.067 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.2 mm -75.75 100.97 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.167 0.508 . . . . 52.42 110.71 -178.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -129.67 -41.53 1.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.675 -0.693 . . . . 62.22 109.792 177.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.9 tt -113.44 121.51 65.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.511 -0.768 . . . . 61.5 110.274 176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 68.8 mt-30 -111.55 125.73 54.23 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.937 -0.574 . . . . 75.12 110.295 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 m -100.06 162.58 12.89 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.837 -0.62 . . . . 71.51 110.204 -178.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -69.0 85.93 0.22 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 121.055 -0.593 . . . . 44.31 112.436 177.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 42.2 t -80.87 118.64 22.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.645 -0.502 . . . . 54.21 109.645 178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.947 -0.549 . . . . 72.44 110.397 -177.295 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo . . . . . 0 N--CA 1.479 0.644 0 N-CA-C 110.332 -0.68 . . . . 72.44 110.332 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -164.85 103.97 0.22 Allowed Glycine 0 N--CA 1.447 -0.603 0 C-N-CA 120.562 -0.828 . . . . 35.53 112.43 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -80.39 -32.28 37.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.324 0.583 . . . . 54.01 109.759 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.8 mtt -105.91 108.64 20.27 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.369 -0.832 . . . . 73.21 110.247 -179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.4 m -85.96 109.78 19.0 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.097 0.475 . . . . 71.41 110.918 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 m -124.27 155.37 31.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 75.41 109.439 175.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 7.9 p -93.86 159.17 15.31 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.691 -0.231 . . . . 72.04 111.446 -176.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.465 ' HA ' HE22 ' A' ' 10' ' ' GLN . 95.0 mt-30 67.3 23.17 9.38 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.764 -0.653 . . . . 72.35 111.932 174.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 m -66.1 -32.2 73.52 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.99 0.424 . . . . 75.12 110.281 177.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.465 HE22 ' HA ' ' A' ' 8' ' ' GLN . 5.4 pm0 -72.5 -27.22 62.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.129 -0.487 . . . . 65.43 110.007 177.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.0 tt -71.67 -46.19 59.64 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 108.967 -0.753 . . . . 71.13 108.967 178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.416 ' OE2' ' HD3' ' A' ' 16' ' ' ARG . 3.1 tm-20 -57.9 -53.77 54.52 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.448 -0.796 . . . . 74.31 109.356 176.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -56.85 -40.86 76.89 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.509 -0.769 . . . . 73.45 111.221 179.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.1 tp -56.86 -50.9 71.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.612 -0.267 . . . . 72.01 110.823 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.726 HG22 HG12 ' A' ' 24' ' ' ILE . 42.6 mm -70.95 -37.88 69.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.871 0.367 . . . . 75.31 110.336 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.571 ' HD2' HD13 ' A' ' 24' ' ' ILE . 1.2 tpt180 -64.53 -35.55 81.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 75.13 111.057 -178.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.43 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -83.79 -33.62 24.92 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.454 . . . . 71.44 111.01 -179.839 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.09 -43.02 71.94 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.374 -0.376 . . . . 63.32 110.548 178.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -127.81 80.45 72.01 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 74.13 110.339 177.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -76.41 -10.86 19.03 Favored 'Trans proline' 0 N--CA 1.464 -0.207 0 C-N-CA 122.359 2.039 . . . . 74.32 111.86 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -99.63 30.49 3.59 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.603 -0.726 . . . . 73.54 109.508 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.475 ' CB ' ' HB2' ' A' ' 42' ' ' SER . . . -137.61 155.96 48.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.757 -0.656 . . . . 74.4 111.145 -177.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.456 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 1.1 mm-40 -94.5 99.01 11.25 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.885 -0.598 . . . . 74.04 109.741 172.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.726 HG12 HG22 ' A' ' 15' ' ' ILE . 3.5 mp -88.15 117.45 31.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.752 -0.658 . . . . 75.31 110.424 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.465 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 24.9 m -117.73 121.54 41.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.97 -0.559 . . . . 60.33 109.956 177.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.7 t -100.9 107.6 21.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.922 0.392 . . . . 74.44 110.419 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 17.0 m -101.83 138.36 38.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.053 -0.522 . . . . 63.14 110.652 -178.011 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.1 m -93.83 123.47 37.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.284 -0.265 . . . . 51.11 110.284 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.424 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 8.7 mp -113.18 116.38 29.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.955 0.407 . . . . 71.35 111.051 -178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.8 m -101.13 97.4 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.351 0.596 . . . . 71.32 110.409 176.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.44 -148.04 4.99 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.736 -0.745 . . . . 63.24 111.794 -177.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.18 -51.92 67.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.963 0.411 . . . . 71.24 110.767 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -117.35 131.1 56.85 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.967 -0.753 . . . . 73.15 108.967 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -83.22 97.83 9.06 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.603 0.716 . . . . 61.41 111.123 -175.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.424 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 4.1 m-70 -127.58 155.45 43.82 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.261 -0.881 . . . . 54.44 109.564 175.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -103.87 140.63 37.4 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 109.534 -0.543 . . . . 71.31 109.534 -177.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.731 ' HA ' ' HG3' ' A' ' 70' ' ' GLN . 16.8 t -89.26 124.01 34.0 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.937 -0.394 . . . . 63.0 109.937 -177.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 4.6 mp -99.71 99.58 8.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.109 -0.7 . . . . 73.4 109.109 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.465 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 51.9 mtpt -95.46 111.83 23.65 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.052 -0.522 . . . . 73.43 109.642 -178.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.1 t -113.56 104.31 16.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.99 -0.55 . . . . 63.22 110.176 -177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.915 HD12 ' HB2' ' A' ' 75' ' ' CYS . 40.4 mm -95.84 111.55 26.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.02 -0.536 . . . . 73.31 110.304 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.475 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . 32.5 t -158.56 142.57 15.52 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.383 -0.371 . . . . 71.22 110.757 178.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.506 ' HA ' ' HB3' ' A' ' 46' ' ' GLN . 49.6 m -68.81 -5.84 23.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.042 -0.526 . . . . 73.12 111.37 179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -75.79 -18.16 59.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.333 . . . . 53.44 110.296 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -104.9 -10.63 17.18 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.616 0.722 . . . . 62.12 109.579 174.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.506 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 62.6 tt0 -83.62 124.36 30.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.087 -0.96 . . . . 75.13 109.785 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.98 -23.49 35.81 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.653 -0.784 . . . . 61.23 111.439 -176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -76.4 144.79 39.8 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.093 -0.336 . . . . 74.22 110.093 175.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 42.1 t -70.12 155.92 39.93 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.872 -0.418 . . . . 74.4 109.872 176.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -52.56 -47.09 67.01 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 116.45 -0.341 . . . . 71.43 111.176 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.58 -43.27 93.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.184 -0.462 . . . . 63.51 110.537 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -57.09 -50.21 73.48 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.97 0.414 . . . . 71.2 110.479 177.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.489 ' O ' HG13 ' A' ' 57' ' ' ILE . 73.3 mt-30 -57.61 -47.65 81.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.389 -0.823 . . . . 70.33 110.705 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.412 ' HA ' HD12 ' A' ' 57' ' ' ILE . 29.7 m170 -65.8 -37.73 87.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.064 -0.516 . . . . 75.33 110.791 -176.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 55' ' ' ARG . 47.1 mtp180 -58.58 -49.39 77.64 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.332 -0.395 . . . . 74.14 110.567 174.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 75.2 mtm -61.49 -42.27 98.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.845 -0.616 . . . . 75.15 111.018 -177.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.688 HD13 HG21 ' A' ' 71' ' ' ILE . 37.4 mt -62.52 -46.38 96.54 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 121.198 0.523 . . . . 62.1 110.216 177.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -63.19 -31.88 73.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.677 -0.692 . . . . 75.23 111.099 -179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -81.04 -43.27 19.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.533 -0.303 . . . . 73.42 111.711 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 57' ' ' ILE . 9.8 p -70.43 -32.97 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.973 0.416 . . . . 74.32 110.909 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 69.5 mt -86.83 -16.68 35.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.387 -0.369 . . . . 70.44 110.511 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.97 22.9 13.07 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 115.724 -0.671 . . . . 64.21 111.751 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 142.59 -128.31 3.45 Favored Glycine 0 N--CA 1.443 -0.873 0 C-N-CA 120.958 -0.639 . . . . 43.43 111.724 -179.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 10.3 mp 66.94 11.07 8.13 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.988 0.515 . . . . 63.23 111.238 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -103.19 101.15 11.09 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.965 0.412 . . . . 65.22 110.387 179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 55.7 mt -81.51 -37.25 15.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.833 -0.803 . . . . 65.41 108.833 173.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 79.2 t60 -166.92 -54.26 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.516 -1.22 . . . . 73.33 108.386 176.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -118.66 147.86 43.34 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.005 -0.998 . . . . 64.03 109.674 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' A' ' 71' ' ' ILE . 31.7 mt -98.78 -30.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.764 0.316 . . . . 52.42 110.199 -177.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.731 ' HG3' ' HA ' ' A' ' 37' ' ' SER . 5.8 tp-100 70.18 27.6 4.16 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.939 0.876 . . . . 62.22 109.987 -178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.688 HG21 HD13 ' A' ' 57' ' ' ILE . 17.1 tt -98.64 132.27 44.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.123 -0.944 . . . . 61.5 110.328 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 11.1 tt0 -110.86 108.54 18.38 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.11 -0.7 . . . . 75.12 109.11 177.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.425 HG23 HG12 ' A' ' 71' ' ' ILE . 3.3 p -106.67 120.13 41.16 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-O 121.189 0.519 . . . . 71.51 111.935 -176.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 91.2 151.33 26.54 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.841 -0.695 . . . . 44.31 112.906 176.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.915 ' HB2' HD12 ' A' ' 41' ' ' ILE . 53.3 t -133.99 133.24 41.07 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.621 -0.511 . . . . 54.21 109.621 177.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.247 0.96 0 CA-C-O 118.665 -0.684 . . . . 72.44 109.635 177.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo . . . . . 0 N--CA 1.479 0.668 0 N-CA-C 110.902 -0.461 . . . . 72.44 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.75 -54.3 7.48 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.99 -0.624 . . . . 35.53 111.743 177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.9 p -102.95 -173.2 2.26 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.616 -0.513 . . . . 54.01 109.616 174.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -79.63 76.3 6.26 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.021 0.439 . . . . 73.21 110.661 178.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 33.7 p -76.08 109.82 10.05 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.096 -0.502 . . . . 71.41 110.316 177.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.0 m -100.44 177.33 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.987 -0.552 . . . . 75.41 110.497 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.472 ' HB ' HG13 ' A' ' 26' ' ' VAL . 10.4 t -112.77 167.79 10.2 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.405 -0.591 . . . . 72.04 109.405 176.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -61.57 124.73 21.5 Favored 'General case' 0 C--O 1.238 0.499 0 CA-C-O 121.056 0.455 . . . . 72.35 110.095 -178.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.7 p -52.01 -43.22 63.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.062 -0.972 . . . . 75.12 111.886 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.47 -46.69 81.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.986 -0.552 . . . . 65.43 111.5 -179.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.406 ' HB3' HD13 ' A' ' 38' ' ' ILE . 88.5 mt -62.33 -46.35 89.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 71.13 110.824 -177.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 tm-20 -62.01 -54.05 46.94 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.817 -0.629 . . . . 74.31 110.156 -179.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.27 -42.91 82.52 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.592 -0.731 . . . . 73.45 111.135 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.8 tp -62.72 -50.81 69.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.092 -0.504 . . . . 72.01 110.726 -175.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.1 mm -66.84 -39.05 82.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.138 -0.483 . . . . 75.31 111.0 -178.034 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.2 tpt180 -67.39 -39.27 85.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.642 -0.254 . . . . 75.13 111.481 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.1 m-80 -78.85 -39.19 36.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.676 -0.238 . . . . 71.44 111.47 -178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.04 -37.69 69.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.84 0.352 . . . . 63.32 110.779 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.4 84.31 63.59 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.28 -0.418 . . . . 74.13 110.823 179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -68.09 -19.79 44.81 Favored 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.393 2.062 . . . . 74.32 111.176 175.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -93.38 12.19 25.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.197 -0.91 . . . . 73.54 110.678 -178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.85 148.38 32.53 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 74.4 111.24 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.47 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 8.7 tp10 -97.03 114.82 26.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.654 -0.703 . . . . 74.04 109.748 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 59.7 mt -93.48 110.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.801 0.334 . . . . 75.31 110.119 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.538 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 8.7 m -104.0 120.72 41.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.288 -0.414 . . . . 60.33 109.948 176.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.472 HG13 ' HB ' ' A' ' 7' ' ' THR . 59.7 t -82.98 115.67 25.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.047 0.451 . . . . 74.44 110.223 -177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.675 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 21.5 m -107.9 120.02 41.1 Favored 'General case' 0 C--O 1.243 0.721 0 CA-C-N 115.859 -0.61 . . . . 63.14 110.223 179.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -78.24 103.76 8.39 Favored 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.427 -0.806 . . . . 51.11 109.863 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 18.0 tp -66.27 111.43 3.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.32 -0.854 . . . . 71.35 110.231 -177.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.92 129.33 26.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.856 -0.611 . . . . 71.32 110.483 -179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.64 -11.66 4.29 Favored Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.865 -0.894 . . . . 63.24 110.865 -175.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 61.57 90.15 0.07 Allowed 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.289 0.636 . . . . 71.24 111.163 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -159.62 150.68 19.59 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.826 -0.805 . . . . 73.15 108.826 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -64.3 -16.76 62.77 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.352 0.596 . . . . 61.41 110.538 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -85.1 103.18 13.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.493 -0.558 . . . . 54.44 109.493 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.3 m-85 -109.78 174.33 5.91 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.578 -0.283 . . . . 71.31 110.429 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.675 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 19.9 m -103.33 120.97 41.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.966 0.412 . . . . 63.0 110.959 -176.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 70' ' ' GLN . 26.7 pt -101.18 117.59 46.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 121.254 0.549 . . . . 73.4 110.289 173.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.538 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 53.4 mtmt -89.37 108.73 19.8 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.713 -0.477 . . . . 73.43 109.713 176.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.1 t -95.24 104.49 15.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.216 -0.902 . . . . 63.22 109.96 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.603 HG12 ' HA3' ' A' ' 74' ' ' GLY . 42.4 mt -102.8 136.0 37.41 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 115.949 -0.569 . . . . 73.31 110.185 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.5 t -162.29 147.67 12.73 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.827 -0.624 . . . . 71.22 110.301 -177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 p -63.14 -19.03 64.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.852 -0.613 . . . . 73.12 110.992 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -70.79 -16.77 62.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.334 -0.394 . . . . 53.44 110.968 178.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -96.79 7.0 47.59 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.095 0.474 . . . . 62.12 110.423 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.648 ' HA ' ' HB2' ' A' ' 76' ' ' LYS . 35.9 tt0 -85.26 131.94 34.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.999 -0.546 . . . . 75.13 109.837 179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.54 -2.77 76.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.976 -0.63 . . . . 61.23 112.793 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -90.79 152.83 20.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.866 0.365 . . . . 74.22 110.547 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 p -82.58 144.49 30.3 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.852 -0.613 . . . . 74.4 110.567 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 37.1 mtmm -58.09 -34.49 70.21 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.265 -0.425 . . . . 71.43 111.632 -178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.3 mt -55.36 -53.84 51.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 63.51 110.792 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.06 -44.08 78.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.664 -0.698 . . . . 71.2 111.396 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.48 ' O ' HG13 ' A' ' 57' ' ' ILE . 70.4 mt-30 -61.54 -47.25 86.43 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.019 -0.537 . . . . 70.33 111.069 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -64.17 -40.19 95.6 Favored 'General case' 0 N--CA 1.463 0.212 0 N-CA-C 109.992 -0.373 . . . . 75.33 109.992 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -56.83 -48.33 78.29 Favored 'General case' 0 CA--C 1.513 -0.455 0 CA-C-N 115.978 -0.555 . . . . 74.14 110.941 176.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 90.5 mtp -62.13 -38.52 89.27 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.679 -0.691 . . . . 75.15 110.249 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 53' ' ' GLN . 67.6 mt -58.96 -52.3 62.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.109 -0.496 . . . . 62.1 110.912 176.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -58.8 -38.39 78.48 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.081 0.467 . . . . 75.23 110.622 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.418 ' HE2' ' HB3' ' A' ' 59' ' ' LYS . 36.6 ttpt -64.21 -49.26 72.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.706 -0.679 . . . . 73.42 111.487 -178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.4 t -81.97 -43.19 19.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.449 -0.341 . . . . 74.32 111.875 -174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 4.2 mm? -79.9 -23.8 41.56 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.73 0.271 . . . . 70.44 111.73 -175.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.46 ' HB3' ' O ' ' A' ' 61' ' ' LEU . 6.8 t70 75.38 -47.56 0.6 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.371 0.668 . . . . 64.21 112.053 177.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -69.98 95.88 0.5 Allowed Glycine 0 C--N 1.311 -0.828 0 CA-C-N 115.356 -0.838 . . . . 43.43 112.403 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.436 ' HG ' ' H ' ' A' ' 64' ' ' LEU . 2.0 pp -86.47 12.99 9.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.201 0.524 . . . . 63.23 111.03 178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -75.72 99.22 4.31 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.768 -0.651 . . . . 65.22 109.456 176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 25.8 pt -81.9 20.04 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.828 -0.623 . . . . 65.41 112.637 -170.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 14.7 t60 -68.43 -38.46 81.21 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.48 -0.563 . . . . 73.33 109.48 175.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -130.1 110.67 11.79 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.671 -0.695 . . . . 64.03 110.348 -179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.2 mm -76.64 106.39 6.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.324 -0.398 . . . . 52.42 110.061 178.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.435 ' O ' HG12 ' A' ' 38' ' ' ILE . 27.3 mt-30 -82.24 -30.63 30.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.075 -0.511 . . . . 62.22 111.332 -177.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.8 tt -137.13 132.32 46.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.116 0.484 . . . . 61.5 111.17 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 51.1 tt0 -126.11 125.05 41.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.575 -0.739 . . . . 75.12 109.435 176.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 19.5 p -88.44 134.92 33.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.825 0.345 . . . . 71.51 111.585 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.603 ' HA3' HG12 ' A' ' 41' ' ' ILE . . . -75.28 88.74 0.8 Allowed Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.765 -0.731 . . . . 44.31 111.618 176.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.4 ' HB2' ' OE1' ' A' ' 53' ' ' GLN . 36.2 t -80.68 134.38 35.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.832 0.348 . . . . 54.21 111.521 -175.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.648 ' HB2' ' HA ' ' A' ' 46' ' ' GLN . 3.9 mptp? . . . . . 0 C--O 1.246 0.872 0 N-CA-C 109.001 -0.74 . . . . 72.44 109.001 172.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo . . . . . 0 N--CA 1.475 0.403 0 N-CA-C 110.899 -0.462 . . . . 72.44 110.899 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -81.84 -48.44 5.81 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.643 -0.789 . . . . 35.53 112.188 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 m -83.54 118.87 24.08 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 110.383 -0.229 . . . . 54.01 110.383 179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 85.7 mtp -86.57 -9.3 56.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.99 0.424 . . . . 73.21 110.552 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 p -74.95 109.77 8.69 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.299 0.571 . . . . 71.41 111.412 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.3 m -119.38 -179.84 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.449 -0.796 . . . . 75.41 110.112 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.7 p -87.64 158.84 18.76 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 110.299 -0.26 . . . . 72.04 110.299 176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 63.84 24.58 13.79 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.312 0.383 . . . . 72.35 111.762 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.1 m -60.74 -32.3 71.59 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.408 -0.36 . . . . 75.12 111.079 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -66.7 -32.98 74.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.312 -0.404 . . . . 65.43 110.363 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.1 tt -71.33 -44.22 65.52 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.103 -0.703 . . . . 71.13 109.103 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -54.38 -51.66 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.588 -0.733 . . . . 74.31 110.275 173.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tt -60.5 -40.12 90.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.636 -0.711 . . . . 73.45 111.331 -179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.99 -46.4 89.39 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.355 -0.384 . . . . 72.01 110.852 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.457 ' HB ' HD13 ' A' ' 24' ' ' ILE . 61.3 mt -66.15 -35.75 75.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.549 -0.296 . . . . 75.31 110.626 178.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' HG2' ' CD1' ' A' ' 24' ' ' ILE . 12.0 mmm180 -68.17 -29.27 68.1 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.607 0.241 . . . . 75.13 111.558 177.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -74.73 -41.82 59.43 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.737 0.304 . . . . 71.44 110.569 176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.29 -53.28 12.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.176 -0.466 . . . . 63.32 110.986 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -118.86 90.62 41.09 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.029 -0.532 . . . . 74.13 109.716 -179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -76.31 -1.03 11.01 Favored 'Trans proline' 0 CA--C 1.527 0.17 0 C-N-CA 122.937 2.425 . . . . 74.32 113.087 -174.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -117.73 13.3 14.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.104 0.478 . . . . 73.54 110.412 177.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' CB ' ' HB2' ' A' ' 42' ' ' SER . . . -97.24 133.43 41.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.904 -0.589 . . . . 74.4 111.575 -176.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 42.4 mt-10 -85.53 111.9 20.44 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.084 -0.71 . . . . 74.04 109.084 172.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.457 HD13 ' HB ' ' A' ' 15' ' ' ILE . 22.6 mt -91.55 129.87 41.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.946 -0.57 . . . . 75.31 110.254 -177.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.545 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 33.9 m -135.37 105.32 6.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.0 0.429 . . . . 60.33 110.132 172.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.81 119.47 36.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.565 0.697 . . . . 74.44 110.018 177.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.903 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 21.0 m -95.87 105.47 17.49 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.501 -0.772 . . . . 63.14 110.319 -179.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.7 p -83.46 106.03 14.88 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.892 -0.595 . . . . 51.11 110.556 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -69.39 107.89 3.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.484 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 40.0 t -67.06 140.42 19.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.962 -0.563 . . . . 71.32 110.216 178.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 112.62 -58.25 0.41 Allowed Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 111.395 -0.682 . . . . 63.24 111.395 -177.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -148.03 117.39 6.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.958 0.408 . . . . 71.24 109.936 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.0 36.01 1.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.919 -0.582 . . . . 73.15 111.672 -172.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -68.01 -16.61 64.12 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.026 0.441 . . . . 61.41 110.577 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -149.57 142.81 25.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.076 -0.511 . . . . 54.44 110.679 179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -120.61 127.18 51.87 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.69 -0.856 . . . . 71.31 108.69 176.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.903 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 20.7 m -76.48 118.44 19.15 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.224 -0.59 . . . . 63.0 109.681 -178.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 57.7 mt -99.95 100.03 9.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-O 120.943 0.401 . . . . 73.4 110.064 -177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.545 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 87.9 tttt -92.62 110.86 22.3 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.673 . . . . 73.43 110.099 -177.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.2 t -111.18 105.87 19.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.004 -0.544 . . . . 63.22 110.448 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.468 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 50.3 mm -101.71 105.31 17.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.165 -0.471 . . . . 73.31 109.888 177.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.422 ' HB2' ' CB ' ' A' ' 22' ' ' ALA . 45.5 t -144.02 147.63 34.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.412 -0.358 . . . . 71.22 110.804 -177.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.7 m -65.23 -15.86 62.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.324 0.583 . . . . 73.12 110.19 176.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -73.84 -4.84 37.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.586 -0.733 . . . . 53.44 110.774 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -116.53 9.28 14.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.197 -0.456 . . . . 62.12 110.335 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -117.15 136.67 52.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.024 -0.535 . . . . 75.13 110.172 -177.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.21 -2.29 37.03 Favored Glycine 0 CA--C 1.519 0.301 0 C-N-CA 121.023 -0.608 . . . . 61.23 112.504 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.757 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.6 mmpt? -78.34 -178.87 5.95 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.129 0.49 . . . . 74.22 111.143 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 m -104.49 144.33 31.81 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.509 -0.552 . . . . 74.4 109.509 175.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -52.32 -38.61 58.99 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.354 0.409 . . . . 71.43 111.821 -178.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.2 mt -55.14 -49.37 71.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.406 -0.361 . . . . 63.51 110.742 -179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -57.78 -45.53 85.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.59 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -61.56 -47.39 85.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.742 -0.663 . . . . 70.33 111.148 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 49.5 m80 -59.56 -46.41 88.99 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 109.879 -0.415 . . . . 75.33 109.879 178.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -57.19 -50.03 74.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.779 -0.646 . . . . 74.14 111.49 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 73.1 mtm -62.81 -49.49 74.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 75.15 111.321 -175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.511 HG23 HD13 ' A' ' 71' ' ' ILE . 60.2 mt -64.46 -39.09 84.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 121.065 0.459 . . . . 62.1 110.355 179.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -65.29 -31.91 73.29 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.979 -0.555 . . . . 75.23 110.517 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.447 ' HA ' ' HD2' ' A' ' 59' ' ' LYS . 46.6 tptt -78.67 -39.54 36.55 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.31 -0.405 . . . . 73.42 111.266 -178.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 57' ' ' ILE . 32.3 m -73.92 -27.75 22.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.429 -0.508 . . . . 74.32 110.644 178.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 61' ' ' LEU . 3.8 mm? -90.74 27.32 1.8 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.106 0.479 . . . . 70.44 110.546 174.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.84 -34.57 76.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 64.21 110.983 178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -97.33 50.74 1.43 Allowed Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 115.423 -0.808 . . . . 43.43 111.672 178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 pp -73.2 152.36 41.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.05 0.452 . . . . 63.23 110.979 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.0 p30 -130.47 -170.21 2.29 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.875 -0.602 . . . . 65.22 109.57 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 6.6 tp -83.09 70.83 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 122.128 0.966 . . . . 65.41 111.271 -177.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -148.27 -176.74 5.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.155 -0.93 . . . . 73.33 109.37 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.83 153.55 18.78 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 120.718 0.294 . . . . 64.03 110.97 -178.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 39.1 pt -68.23 149.9 11.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 52.42 110.281 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -145.78 28.69 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.252 -0.431 . . . . 62.22 111.791 -172.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.511 HD13 HG23 ' A' ' 57' ' ' ILE . 17.5 tt -101.56 127.21 55.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.182 0.515 . . . . 61.5 111.153 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' HB2' ' HA ' ' A' ' 39' ' ' LYS . 93.3 mt-30 -120.11 117.5 28.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.944 -0.571 . . . . 75.12 109.875 178.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.0 p -119.48 148.2 43.54 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.822 0.344 . . . . 71.51 111.299 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -96.8 88.59 1.0 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.828 -0.701 . . . . 44.31 111.498 176.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 15.8 t -97.55 115.79 28.52 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.653 0.263 . . . . 54.21 111.554 -174.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' LYS . 36.2 tptt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.427 -0.797 . . . . 72.44 109.543 172.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo . . . . . 0 N--CA 1.478 0.591 0 N-CA-C 110.712 -0.534 . . . . 72.44 110.712 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 128.99 -82.61 0.33 Allowed Glycine 0 N--CA 1.445 -0.707 0 N-CA-C 111.046 -0.822 . . . . 35.53 111.046 -178.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.5 p -167.79 154.86 8.22 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.856 -0.424 . . . . 54.01 109.856 175.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -86.4 144.06 27.51 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.98 -0.378 . . . . 73.21 109.98 177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.5 p -77.54 133.85 38.42 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.203 -0.453 . . . . 71.41 110.195 175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.8 m -86.86 157.32 3.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 116.46 -0.336 . . . . 75.41 110.279 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -78.58 173.88 11.94 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.48 . . . . 72.04 109.916 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' A' ' 8' ' ' GLN . 0.4 OUTLIER -80.09 66.16 5.49 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.762 -0.458 . . . . 72.35 109.762 -178.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.2 m -52.52 -39.27 61.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.301 -0.409 . . . . 75.12 111.834 -173.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.88 -34.13 71.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.749 0.309 . . . . 65.43 111.074 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.1 tp -72.09 -48.45 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.605 -0.27 . . . . 71.13 110.386 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.54 -37.56 75.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.694 0.283 . . . . 74.31 110.438 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -61.18 -45.78 93.2 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.419 -0.355 . . . . 73.45 110.058 174.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.92 -48.62 75.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.363 -0.381 . . . . 72.01 110.051 179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.563 HD11 HD12 ' A' ' 38' ' ' ILE . 64.2 mt -61.64 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.036 -0.529 . . . . 75.31 110.713 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -64.61 -39.63 94.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 75.13 111.106 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.438 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -71.57 -29.92 65.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 71.44 110.347 179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.33 -48.6 15.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.451 . . . . 63.32 111.041 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -129.19 92.59 38.63 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.447 -0.342 . . . . 74.13 110.618 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 55.1 Cg_endo -71.48 -13.82 30.46 Favored 'Trans proline' 0 CA--C 1.527 0.148 0 C-N-CA 122.464 2.109 . . . . 74.32 111.972 178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -98.3 6.94 46.89 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.625 -0.716 . . . . 73.54 110.936 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.96 134.5 41.72 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.223 -0.444 . . . . 74.4 111.546 -176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -82.06 105.95 13.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.841 -0.618 . . . . 74.04 109.807 173.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 33.0 mt -88.61 115.56 28.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.712 -0.676 . . . . 75.31 110.184 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.543 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 16.0 m -120.35 105.31 10.78 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.056 0.455 . . . . 60.33 110.405 176.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.52 126.32 40.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.155 0.502 . . . . 74.44 110.19 179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.2 m -120.34 118.09 29.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.05 -0.523 . . . . 63.14 110.264 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.6 p -94.46 100.8 12.73 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.044 -0.525 . . . . 51.11 110.372 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 35' ' ' HIS . 3.2 mm? -78.51 86.45 4.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.112 0.482 . . . . 71.35 110.401 -178.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.37 124.74 40.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.547 -0.752 . . . . 71.32 110.26 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.78 -99.53 0.17 Allowed Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.914 -0.875 . . . . 63.24 110.914 179.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.73 -67.15 0.87 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.121 -0.696 . . . . 71.24 109.121 173.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -100.13 115.44 29.81 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.784 -0.821 . . . . 73.15 108.784 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -66.82 109.88 3.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.19 0.519 . . . . 61.41 111.652 -174.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.4 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.4 p80 -122.48 140.63 52.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.035 -0.728 . . . . 54.44 109.035 176.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -112.24 149.69 31.96 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-O 120.971 0.415 . . . . 71.31 110.867 -172.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.9 m -134.48 119.24 18.26 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.921 -0.581 . . . . 63.0 110.433 179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.563 HD12 HD11 ' A' ' 15' ' ' ILE . 14.0 pt -99.55 109.74 25.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.288 0.566 . . . . 73.4 110.236 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.543 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 83.0 tttt -86.27 117.88 25.36 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.563 -0.744 . . . . 73.43 109.977 -178.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.91 109.14 27.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.369 -0.378 . . . . 63.22 110.244 -178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 18.3 mt -102.42 129.2 54.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 C-N-CA 120.792 -0.363 . . . . 73.31 110.286 177.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 t -158.22 146.47 18.68 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.013 -0.54 . . . . 71.22 110.24 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.602 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 17.8 m -64.12 -11.07 26.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.966 -0.561 . . . . 73.12 111.317 -178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -69.31 -27.29 65.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.86 0.362 . . . . 53.44 110.54 177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -88.72 -10.56 47.94 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.164 0.431 . . . . 62.12 112.164 -174.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 43' ' ' SER . 3.2 pt20 -64.29 143.79 57.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.643 0.259 . . . . 75.13 110.311 -178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.41 -24.44 25.45 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.739 -0.743 . . . . 61.23 112.326 177.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -93.05 133.47 36.18 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.998 0.428 . . . . 74.22 110.239 -179.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.6 m -71.51 165.12 24.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.333 -0.849 . . . . 74.4 111.333 -174.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' HG2' ' HB2' ' A' ' 75' ' ' CYS . 55.6 mtpt -55.33 -40.62 71.42 Favored 'General case' 0 CA--C 1.519 -0.228 0 CA-C-N 116.134 -0.484 . . . . 71.43 110.873 179.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.477 ' H ' HD22 ' A' ' 51' ' ' LEU . 3.3 mm? -55.14 -49.8 70.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.594 . . . . 63.51 110.174 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -63.73 -41.42 98.05 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.741 -0.663 . . . . 71.2 110.785 179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.577 ' O ' HG13 ' A' ' 57' ' ' ILE . 67.2 mt-30 -56.69 -47.72 79.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 70.33 111.134 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.452 ' HA ' HD12 ' A' ' 57' ' ' ILE . 30.1 m80 -72.5 -36.44 68.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 75.33 110.096 -177.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 5.8 mtp85 -60.55 -44.68 95.88 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.989 -0.551 . . . . 74.14 110.527 175.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.487 ' CE ' ' HA ' ' A' ' 53' ' ' GLN . 73.0 mtm -61.82 -42.7 99.35 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.095 -0.502 . . . . 75.15 110.339 176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.699 HG23 HG12 ' A' ' 71' ' ' ILE . 93.9 mt -55.0 -53.19 36.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-O 120.625 0.25 . . . . 62.1 110.752 176.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -62.15 -36.58 82.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.31 -0.405 . . . . 75.23 111.283 -177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -77.55 -36.47 52.2 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.092 0.405 . . . . 73.42 112.092 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 69.3 t -73.32 -41.6 57.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.688 0.28 . . . . 74.32 110.745 178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.44 HD11 ' HB3' ' A' ' 70' ' ' GLN . 56.7 mt -69.03 -29.75 67.97 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.535 -0.302 . . . . 70.44 110.369 177.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.8 t70 58.5 76.65 0.33 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.403 -0.817 . . . . 64.21 110.681 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 162.15 -154.78 25.85 Favored Glycine 0 N--CA 1.439 -1.164 0 N-CA-C 110.509 -1.036 . . . . 43.43 110.509 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -110.5 -80.41 0.58 Allowed 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 110.276 -0.268 . . . . 63.23 110.276 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 53.3 28.41 7.24 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.94 -0.573 . . . . 65.22 110.896 -177.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.3 tt -72.58 -3.34 3.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 CA-C-N 115.991 -0.55 . . . . 65.41 112.125 -170.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -81.68 -2.07 49.09 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.287 0.565 . . . . 73.33 110.001 178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -157.46 177.1 11.81 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 115.722 -0.672 . . . . 64.03 109.656 177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.34 101.71 12.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 109.427 -0.583 . . . . 52.42 109.427 176.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.44 ' HB3' HD11 ' A' ' 61' ' ' LEU . 24.1 tp60 -65.9 -47.55 74.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.329 -0.396 . . . . 62.22 111.102 -175.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.699 HG12 HG23 ' A' ' 57' ' ' ILE . 9.5 pt -123.32 139.58 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.699 -0.482 . . . . 61.5 109.699 177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.459 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 40.2 mt-30 -114.01 108.41 16.98 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.421 -0.585 . . . . 75.12 109.421 178.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 40.9 p -119.7 119.99 35.29 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 116.513 -0.312 . . . . 71.51 110.694 -177.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 83.54 -82.44 1.67 Allowed Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.87 -0.681 . . . . 44.31 112.709 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 50' ' ' LYS . 69.0 m -134.15 164.62 26.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.04 0.448 . . . . 54.21 111.716 -175.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.6 tptp . . . . . 0 C--O 1.247 0.962 0 CA-C-N 115.379 -0.828 . . . . 72.44 110.643 179.216 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo . . . . . 0 N--CA 1.474 0.356 0 N-CA-C 110.462 -0.63 . . . . 72.44 110.462 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 74.6 -81.56 0.85 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 121.01 -0.614 . . . . 35.53 111.807 -178.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -83.84 109.69 17.76 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.986 0.422 . . . . 54.01 110.028 177.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 4' ' ' MET . 16.7 mmt -70.97 106.08 3.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.981 -0.554 . . . . 73.21 111.179 -176.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 28.0 m -98.39 111.9 24.09 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.068 -0.515 . . . . 71.41 109.715 177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.9 p -111.59 138.79 38.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.365 -0.38 . . . . 75.41 110.682 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.6 m -87.25 158.71 19.03 Favored 'General case' 0 N--CA 1.449 -0.52 0 N-CA-C 109.777 -0.453 . . . . 72.04 109.777 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -95.22 128.33 41.97 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.127 -0.694 . . . . 72.35 109.127 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.0 m -59.2 -48.59 81.04 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.395 -0.366 . . . . 75.12 111.281 -174.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -64.54 -44.84 89.53 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.58 0.229 . . . . 65.43 111.216 -177.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.67 -48.08 80.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.35 -0.386 . . . . 71.13 110.708 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -59.11 -54.01 51.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.791 -0.64 . . . . 74.31 110.435 179.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.9 tt -56.81 -39.18 73.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.013 -0.994 . . . . 73.45 111.066 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.93 -50.73 69.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.099 -0.5 . . . . 72.01 110.766 -177.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mt -71.99 -34.75 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 75.31 110.982 -177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -68.3 -35.7 78.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.703 0.287 . . . . 75.13 110.811 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -78.19 -31.4 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.829 0.347 . . . . 71.44 110.571 176.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.17 -45.99 68.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 63.32 110.706 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -126.96 89.05 53.03 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.167 -0.47 . . . . 74.13 110.064 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -63.5 -45.02 12.44 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 123.17 2.58 . . . . 74.32 113.401 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.76 27.35 2.39 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.222 0.534 . . . . 73.54 111.026 -178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.42 146.71 46.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.791 -0.64 . . . . 74.4 110.011 177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -100.19 120.08 39.34 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.356 0.598 . . . . 74.04 111.688 -174.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 24' ' ' ILE . 4.1 mp -88.38 110.89 21.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.402 -0.817 . . . . 75.31 109.098 177.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.531 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 12.8 m -109.57 114.5 28.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.441 -0.345 . . . . 60.33 110.857 -177.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 59.7 t -82.56 112.07 19.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 N-CA-C 108.516 -0.92 . . . . 74.44 108.516 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.826 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 29.5 m -93.43 106.35 18.33 Favored 'General case' 0 N--CA 1.442 -0.848 0 CA-C-N 115.555 -0.748 . . . . 63.14 111.018 -171.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.492 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 17.9 t -86.23 111.0 20.0 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.186 -0.915 . . . . 51.11 109.611 179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 56.5 mt -87.48 -172.93 4.13 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.091 -0.707 . . . . 71.35 109.091 176.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -61.64 135.44 26.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.592 -0.892 . . . . 71.32 108.592 171.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -73.62 55.72 2.08 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 121.353 -0.451 . . . . 63.24 113.957 -172.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -114.21 -9.67 12.84 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.477 -0.564 . . . . 71.24 109.477 172.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -105.1 134.75 47.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.447 -0.797 . . . . 73.15 109.258 174.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -67.33 -39.41 85.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.283 0.563 . . . . 61.41 110.635 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -101.07 143.71 30.87 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.724 -0.671 . . . . 54.44 109.52 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 92.9 m-85 -103.33 172.42 6.82 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 110.095 -0.335 . . . . 71.31 110.095 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.826 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 53.4 m -89.61 149.91 22.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.15 0.5 . . . . 63.0 111.259 -173.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.3 pt -115.23 111.86 37.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.864 -0.607 . . . . 73.4 110.1 176.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.531 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 3.4 ttmp? -103.7 110.26 22.28 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.639 -0.504 . . . . 73.43 109.639 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.0 t -99.15 104.35 15.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.811 -0.631 . . . . 63.22 109.888 -178.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.9 mm -86.81 99.1 7.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.273 0.559 . . . . 73.31 109.538 179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.2 m -142.31 138.83 31.58 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.387 -0.824 . . . . 71.22 110.354 -177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.6 m -66.73 -13.01 60.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.253 0.549 . . . . 73.12 110.401 177.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -72.67 -10.51 59.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.853 -0.612 . . . . 53.44 110.621 176.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.457 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 67.0 m-85 -113.59 13.63 18.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.236 -0.438 . . . . 62.12 111.045 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -121.73 116.44 24.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.813 0.339 . . . . 75.13 111.081 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.06 21.88 50.88 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.927 -0.654 . . . . 61.23 112.711 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.513 ' HB3' ' OE1' ' A' ' 52' ' ' GLU . 0.9 OUTLIER -104.48 -171.26 1.89 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.021 -0.363 . . . . 74.22 110.021 -178.163 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.624 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 44.9 m -85.47 137.17 33.08 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.728 -0.215 . . . . 74.4 110.912 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HB2' ' HE3' ' A' ' 50' ' ' LYS . 45.8 mtmt -56.83 -48.81 77.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.494 -0.321 . . . . 71.43 111.504 -178.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.5 mt -58.09 -42.31 85.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.49 -0.323 . . . . 63.51 110.456 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.524 ' O ' ' HG2' ' A' ' 56' ' ' MET . 41.6 tt0 -58.12 -49.95 75.18 Favored 'General case' 0 N--CA 1.432 -1.339 0 CA-C-N 115.945 -0.57 . . . . 71.2 110.78 177.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.624 ' HG2' ' O ' ' A' ' 49' ' ' SER . 23.7 mm-40 -59.57 -47.34 85.92 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.982 -0.554 . . . . 70.33 110.904 -178.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 23.2 m170 -65.55 -40.45 92.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.819 -0.628 . . . . 75.33 110.041 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -59.65 -45.21 92.7 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.335 -0.393 . . . . 74.14 110.779 175.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.524 ' HG2' ' O ' ' A' ' 52' ' ' GLU . 97.0 mmm -57.75 -45.24 86.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.526 . . . . 75.15 110.374 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.559 HG23 HG21 ' A' ' 71' ' ' ILE . 72.1 mt -59.08 -49.96 81.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.845 -0.616 . . . . 62.1 111.105 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.617 ' O ' ' HB2' ' A' ' 62' ' ' ASP . 36.9 m-85 -60.52 -31.47 70.54 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.687 -0.233 . . . . 75.23 111.383 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -69.95 -51.53 31.91 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 121.007 -0.277 . . . . 73.42 111.663 177.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 32.6 m -82.58 -29.09 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 N-CA-C 112.726 0.639 . . . . 74.32 112.726 -172.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.419 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 31.9 tp -101.55 16.62 25.15 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.098 0.475 . . . . 70.44 111.102 -172.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.617 ' HB2' ' O ' ' A' ' 58' ' ' TYR . 8.3 t0 -87.69 100.37 12.77 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.037 0.446 . . . . 64.21 110.524 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -139.18 50.22 0.79 Allowed Glycine 0 N--CA 1.448 -0.558 0 N-CA-C 110.55 -1.02 . . . . 43.43 110.55 175.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.2 mt 63.44 71.63 0.5 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.65 0.738 . . . . 63.23 109.47 -170.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.529 ' OD1' ' HB3' ' A' ' 68' ' ' ALA . 41.3 t30 -139.88 137.06 34.55 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.99 -1.005 . . . . 65.22 109.986 -175.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.46 102.26 10.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 120.672 0.272 . . . . 65.41 111.226 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.4 m170 71.84 -7.45 1.26 Allowed 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.423 0.898 . . . . 73.33 113.423 172.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.529 ' HB3' ' OD1' ' A' ' 65' ' ' ASN . . . -80.69 94.27 6.33 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.266 0.555 . . . . 64.03 110.666 -179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.2 mt -85.6 96.59 5.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.757 -0.656 . . . . 52.42 110.621 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -100.89 16.63 24.55 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 62.22 110.352 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.559 HG21 HG23 ' A' ' 57' ' ' ILE . 19.4 tt -109.76 139.59 32.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.991 -0.549 . . . . 61.5 110.687 -177.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -118.3 108.67 15.38 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.234 -0.654 . . . . 75.12 109.234 172.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.426 HG23 HG12 ' A' ' 71' ' ' ILE . 6.2 p -118.79 127.02 53.14 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.464 -0.334 . . . . 71.51 111.475 -178.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 147.72 -137.48 6.58 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.916 -0.659 . . . . 44.31 111.813 178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 43.8 t -127.13 135.88 51.34 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.993 -0.373 . . . . 54.21 109.993 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.521 -0.752 . . . . 72.44 109.643 177.535 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo . . . . . 0 N--CA 1.476 0.478 0 N-CA-C 110.435 -0.64 . . . . 72.44 110.435 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.58 117.74 4.58 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.464 -0.874 . . . . 35.53 111.644 177.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.5 m -72.42 93.08 1.5 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.989 0.423 . . . . 54.01 110.107 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.6 ptt? -78.29 78.56 4.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.432 0.634 . . . . 73.21 111.179 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 p -88.73 110.06 20.67 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.722 -0.672 . . . . 71.41 110.269 174.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.2 m -89.99 153.34 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.18 -0.463 . . . . 75.41 111.344 -176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 50.9 p -113.32 169.56 8.86 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.737 -0.665 . . . . 72.04 109.889 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.586 ' HB3' HD13 ' A' ' 11' ' ' LEU . 38.7 mt-30 -79.58 72.86 6.27 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.283 -1.006 . . . . 72.35 108.283 172.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.7 t -63.09 -41.45 99.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.125 -0.943 . . . . 75.12 111.867 -168.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 67.8 mm-40 -61.32 -43.1 99.44 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.706 -0.397 . . . . 65.43 109.964 -179.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.586 HD13 ' HB3' ' A' ' 8' ' ' GLN . 6.7 mp -66.96 -46.09 75.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.921 -0.582 . . . . 71.13 110.476 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.46 ' HG3' HG21 ' A' ' 24' ' ' ILE . 41.3 tt0 -60.18 -54.35 46.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.825 -0.625 . . . . 74.31 110.839 179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.43 -38.59 81.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.756 . . . . 73.45 110.748 179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.0 tp -63.64 -50.74 68.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 72.01 110.689 -177.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.5 mm -68.87 -40.04 80.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.232 -0.44 . . . . 75.31 111.23 -178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.2 tpt180 -68.52 -34.36 75.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.608 -0.269 . . . . 75.13 111.27 -177.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -78.9 -40.13 33.06 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.896 -0.322 . . . . 71.44 110.832 178.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.35 -45.26 80.81 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.429 -0.351 . . . . 63.32 110.72 179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -124.97 92.07 48.27 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.364 -0.38 . . . . 74.13 110.38 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -69.58 -9.68 26.78 Favored 'Trans proline' 0 C--N 1.342 0.236 0 C-N-CA 122.613 2.208 . . . . 74.32 111.602 177.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -93.12 3.91 54.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.119 -0.946 . . . . 73.54 110.201 178.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -115.82 129.55 56.48 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.934 0.397 . . . . 74.4 111.652 -175.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.651 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 27.8 mm-40 -82.44 129.18 34.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.639 -0.709 . . . . 74.04 109.682 175.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.46 HG21 ' HG3' ' A' ' 12' ' ' GLU . 5.7 mm -87.28 110.51 20.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 N-CA-C 109.188 -0.671 . . . . 75.31 109.188 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 14.0 m -109.51 110.27 21.32 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.993 -0.549 . . . . 60.33 109.854 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.1 m -89.36 115.15 28.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.565 0.697 . . . . 74.44 111.098 -176.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.915 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 23.8 m -94.06 105.51 17.51 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.762 -0.654 . . . . 63.14 109.646 176.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.1 p -93.75 115.33 27.75 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.888 -0.597 . . . . 51.11 111.0 -176.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -86.39 98.86 11.24 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.252 -0.647 . . . . 71.35 109.252 175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 54.4 t -75.19 122.93 29.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.88 -0.6 . . . . 71.32 110.354 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.76 -65.42 0.31 Allowed Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 111.132 -0.787 . . . . 63.24 111.132 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -131.57 134.99 46.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.791 0.329 . . . . 71.24 110.342 175.36 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -76.8 69.41 3.15 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.684 -0.689 . . . . 73.15 110.538 -178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -94.95 -77.31 0.47 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.955 -0.566 . . . . 61.41 110.112 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -146.76 145.35 29.91 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.517 -0.549 . . . . 54.44 109.517 178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -113.72 145.76 40.88 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.623 -0.51 . . . . 71.31 109.623 179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.915 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 11.1 t -86.4 131.26 34.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.237 -0.438 . . . . 63.0 111.283 -170.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.0 mm -100.48 102.66 13.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.671 -0.492 . . . . 73.4 109.671 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 4.6 ttmp? -94.88 114.06 25.87 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.236 0.541 . . . . 73.43 109.778 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.418 HG13 ' HB1' ' A' ' 22' ' ' ALA . 77.8 t -91.15 114.37 28.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.417 -0.811 . . . . 63.22 110.479 -178.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.651 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 50.3 mm -101.61 104.89 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.164 -0.471 . . . . 73.31 110.329 179.051 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 t -150.58 131.32 14.06 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.207 -0.451 . . . . 71.22 109.989 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.1 m -67.83 -4.64 13.27 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.983 -0.553 . . . . 73.12 112.369 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -84.87 -6.26 59.34 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.956 0.408 . . . . 53.44 110.438 177.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -94.92 -10.64 30.5 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-O 121.152 0.501 . . . . 62.12 110.005 172.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.407 ' NE2' ' HB2' ' A' ' 76' ' ' LYS . 8.2 tp60 -73.92 123.77 24.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.729 -0.669 . . . . 75.13 110.291 -178.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.21 -2.83 59.69 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.669 -0.776 . . . . 61.23 111.852 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.523 ' HB3' ' HG3' ' A' ' 53' ' ' GLN . 0.5 OUTLIER -81.4 174.85 11.08 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 110.139 -0.319 . . . . 74.22 110.139 177.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.9 m -128.3 162.27 27.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.239 -0.437 . . . . 74.4 110.008 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -45.84 -60.11 2.42 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.722 0.638 . . . . 71.43 112.722 -173.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.97 -43.56 77.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.965 0.412 . . . . 63.51 111.186 -174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.464 ' OE1' ' HG3' ' A' ' 48' ' ' LYS . 36.7 tt0 -69.47 -44.92 70.2 Favored 'General case' 0 N--CA 1.431 -1.375 0 CA-C-N 115.834 -0.621 . . . . 71.2 110.863 -178.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.523 ' HG3' ' HB3' ' A' ' 48' ' ' LYS . 54.4 mt-30 -60.46 -47.39 86.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.472 -0.331 . . . . 70.33 110.476 177.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -60.79 -47.55 85.83 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.002 -0.544 . . . . 75.33 110.094 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -60.08 -44.26 94.91 Favored 'General case' 0 N--CA 1.448 -0.54 0 N-CA-C 111.755 0.28 . . . . 74.14 111.755 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 52' ' ' GLU . 69.2 mtm -58.86 -43.66 90.86 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.954 -0.298 . . . . 75.15 110.206 178.186 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 71' ' ' ILE . 98.2 mt -55.7 -50.49 67.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.084 -0.507 . . . . 62.1 110.686 175.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -64.31 -31.36 72.54 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.978 0.362 . . . . 75.23 111.978 -177.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -81.1 -30.25 34.67 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.117 0.414 . . . . 73.42 112.117 -178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.6 p -88.51 -34.15 6.86 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 120.537 -0.465 . . . . 74.32 111.062 179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.1 32.29 2.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.406 0.622 . . . . 70.44 109.533 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -74.55 87.23 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.607 -0.724 . . . . 64.21 110.626 -177.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -145.43 31.71 1.66 Allowed Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.673 -0.694 . . . . 43.43 111.62 177.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 88.5 mt 60.4 28.01 17.63 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.182 0.438 . . . . 63.23 112.182 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -102.99 84.26 2.34 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.759 -0.46 . . . . 65.22 109.759 175.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 52.6 mt -82.25 101.62 7.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.249 -0.432 . . . . 65.41 111.153 -173.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.6 m170 66.22 8.93 5.94 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.581 -0.736 . . . . 73.33 111.636 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.84 -28.78 61.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.035 0.445 . . . . 64.03 110.733 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 51.2 mm -100.98 131.47 48.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.715 -0.675 . . . . 52.42 110.091 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -80.14 87.66 5.48 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.174 0.512 . . . . 62.22 110.33 177.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 57' ' ' ILE . 2.8 tp -97.64 119.18 45.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.642 -0.708 . . . . 61.5 110.211 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.417 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 84.8 mm-40 -127.59 118.96 24.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.11 -0.496 . . . . 75.12 110.017 178.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 20.7 p -92.23 124.52 36.36 Favored 'General case' 0 C--N 1.318 -0.785 0 C-N-CA 121.015 -0.274 . . . . 71.51 110.752 179.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.0 156.91 29.0 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 121.04 -0.6 . . . . 44.31 112.481 -178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 14.9 p -133.96 164.67 26.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.624 0.25 . . . . 54.21 110.62 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.407 ' HB2' ' NE2' ' A' ' 46' ' ' GLN . 28.3 mmmt . . . . . 0 C--O 1.252 1.186 0 CA-C-O 118.417 -0.801 . . . . 72.44 110.484 178.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.8 Cg_exo . . . . . 0 N--CA 1.474 0.331 0 N-CA-C 110.32 -0.685 . . . . 72.44 110.32 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 105.27 -147.3 16.23 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 111.327 -0.709 . . . . 35.53 111.327 -176.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.1 t -86.4 -5.58 59.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.73 0.3 . . . . 54.01 110.287 178.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 67.3 mtt -86.47 113.45 22.41 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 73.21 110.788 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.427 ' O ' ' HA ' ' A' ' 35' ' ' HIS . 16.4 m -129.27 109.57 11.23 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.867 -0.606 . . . . 71.41 109.71 176.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.48 HG23 ' HE2' ' A' ' 36' ' ' TYR . 10.5 p -140.31 158.33 25.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.26 -0.427 . . . . 75.41 110.121 -174.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.5 t -89.56 159.28 17.27 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-O 121.115 0.483 . . . . 72.04 110.723 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 57.0 mm-40 -144.4 147.69 33.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.645 -0.707 . . . . 72.35 109.458 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.6 m -60.95 -35.09 75.86 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.766 0.317 . . . . 75.12 110.57 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -69.61 -37.24 76.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 65.43 110.462 175.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.1 tp -67.69 -46.56 71.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.096 -0.502 . . . . 71.13 110.1 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.61 -43.06 97.86 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.858 -0.61 . . . . 74.31 110.862 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -59.25 -45.34 91.45 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 109.774 -0.454 . . . . 73.45 109.774 175.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.6 tp -57.8 -47.56 82.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 72.01 110.608 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 83.1 mt -59.83 -48.84 86.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.234 -0.439 . . . . 75.31 111.006 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -72.52 -27.66 62.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.687 0.28 . . . . 75.13 111.553 -175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.15 -38.05 36.96 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.968 -0.293 . . . . 71.44 110.522 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.68 -40.03 63.96 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.065 0.459 . . . . 63.32 110.446 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -129.55 88.77 49.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.074 -0.512 . . . . 74.13 110.741 178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -75.72 -3.69 14.22 Favored 'Trans proline' 0 C--O 1.234 0.308 0 C-N-CA 122.621 2.214 . . . . 74.32 111.119 176.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -99.39 14.66 28.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.699 -1.137 . . . . 73.54 109.581 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.13 139.06 48.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.891 -0.595 . . . . 74.4 111.133 -176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -98.77 138.55 35.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.266 -0.425 . . . . 74.04 110.219 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -108.03 117.78 54.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.673 -0.694 . . . . 75.31 110.855 -175.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.546 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 13.4 m -122.0 123.35 41.44 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 110.096 -0.335 . . . . 60.33 110.096 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 m -83.03 110.35 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.552 0.692 . . . . 74.44 110.622 179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 24.3 m -94.24 127.26 39.98 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 63.14 111.106 -174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.8 p -85.14 110.24 18.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.731 -0.668 . . . . 51.11 110.98 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.99 -52.0 10.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 71.35 110.272 175.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.685 HG13 ' H ' ' A' ' 32' ' ' ASP . 15.0 p -121.33 -22.25 3.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.85 -0.614 . . . . 71.32 110.194 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 106.79 -33.94 6.07 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.872 -0.68 . . . . 63.24 111.49 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.685 ' H ' HG13 ' A' ' 30' ' ' VAL . 25.0 t70 -72.41 153.91 41.17 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.749 -0.226 . . . . 71.24 110.695 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.625 ' HA ' ' CE2' ' A' ' 36' ' ' TYR . 12.7 m120 -67.02 -15.74 63.92 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 112.519 0.563 . . . . 73.15 112.519 -174.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -60.72 -34.05 73.81 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.952 0.723 . . . . 61.41 112.952 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' HA ' ' O ' ' A' ' 5' ' ' THR . 33.6 p-80 -157.41 126.44 5.84 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 119.918 -0.713 . . . . 54.44 112.745 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.625 ' CE2' ' HA ' ' A' ' 33' ' ' ASN . 93.2 m-85 -128.7 174.19 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 114.939 -1.028 . . . . 71.31 109.727 174.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.8 m -121.69 138.27 54.41 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.924 -0.399 . . . . 63.0 109.924 171.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 67.1 mt -99.73 115.7 41.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.962 -0.384 . . . . 73.4 109.962 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.546 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 14.0 ttmt -88.93 126.1 35.25 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.779 -0.452 . . . . 73.43 109.779 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.2 t -121.32 107.45 20.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 CA-C-N 115.923 -0.581 . . . . 63.22 109.928 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -97.48 113.05 30.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 116.171 -0.468 . . . . 73.31 110.275 178.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 34.2 t -156.66 146.76 21.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.089 -0.505 . . . . 71.22 110.202 179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.1 m -69.13 -8.79 48.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.144 -0.48 . . . . 73.12 110.831 176.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -79.19 -10.29 59.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.033 0.444 . . . . 53.44 110.266 175.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -108.3 -10.71 15.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 62.12 110.108 173.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -84.86 143.4 29.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.749 -0.66 . . . . 75.13 110.286 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.07 -28.02 6.99 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.61 -0.805 . . . . 61.23 112.146 -178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -87.71 164.74 15.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 110.275 -0.269 . . . . 74.22 110.275 178.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 48.9 m -97.3 162.98 13.09 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.096 0.474 . . . . 74.4 111.653 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.655 ' HG3' HD22 ' A' ' 51' ' ' LEU . 16.6 ptpt -55.75 -37.52 68.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.376 -0.829 . . . . 71.43 112.404 -177.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.655 HD22 ' HG3' ' A' ' 50' ' ' LYS . 4.2 mm? -58.41 -47.96 82.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.872 0.368 . . . . 63.51 110.291 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -60.31 -45.93 91.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.493 -0.776 . . . . 71.2 110.243 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.441 ' O ' HG12 ' A' ' 57' ' ' ILE . 88.5 mt-30 -59.75 -46.96 87.56 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.587 -0.733 . . . . 70.33 110.691 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -61.02 -47.48 86.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.054 -0.521 . . . . 75.33 110.824 -178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HD3' ' O ' ' A' ' 51' ' ' LEU . 8.6 mpt_? -58.84 -52.34 66.16 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.284 -0.416 . . . . 74.14 111.35 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.427 ' O ' HG23 ' A' ' 60' ' ' VAL . 71.3 mtm -57.17 -49.53 75.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.282 -0.417 . . . . 75.15 111.016 -178.37 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.531 HG13 HG12 ' A' ' 71' ' ' ILE . 45.9 mm -62.25 -41.07 90.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.835 0.35 . . . . 62.1 110.961 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -65.03 -33.75 76.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.024 -0.534 . . . . 75.23 111.046 -178.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 49.8 tttm -78.2 -41.77 33.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.72 0.295 . . . . 73.42 111.252 178.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 56' ' ' MET . 92.3 t -65.92 -44.53 92.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.957 0.408 . . . . 74.32 110.641 -179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 85.8 mt -94.25 35.19 1.2 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.108 -0.496 . . . . 70.44 110.172 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -58.2 125.65 24.11 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.721 -0.672 . . . . 64.21 111.57 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 171.38 179.17 42.3 Favored Glycine 0 N--CA 1.43 -1.762 0 N-CA-C 109.8 -1.32 . . . . 43.43 109.8 178.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.7 tp -74.99 78.51 2.19 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 120.924 0.392 . . . . 63.23 110.15 176.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -153.9 92.36 1.54 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.925 -0.579 . . . . 65.22 109.498 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 66' ' ' ILE . 4.2 mp -99.47 100.47 10.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.0 -0.546 . . . . 65.41 110.01 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 11.0 m80 -133.37 148.7 51.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.821 -0.627 . . . . 73.33 110.647 178.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.32 -35.29 58.88 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.072 -0.513 . . . . 64.03 111.145 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.0 tt -141.89 105.1 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.616 0.722 . . . . 52.42 111.633 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.48 1.11 2.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.5 -0.773 . . . . 62.22 110.087 171.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.531 HG12 HG13 ' A' ' 57' ' ' ILE . 2.4 tp -133.99 136.72 53.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.161 -0.927 . . . . 61.5 109.356 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.491 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 79.6 mt-30 -122.53 108.31 13.01 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.266 -0.642 . . . . 75.12 109.266 174.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 3.2 p -107.11 139.25 41.83 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 116.304 -0.407 . . . . 71.51 111.018 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.12 90.18 0.17 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.946 -0.645 . . . . 44.31 112.347 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 47.4 t -84.55 115.79 22.8 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.631 -0.507 . . . . 54.21 109.631 179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.6 tttm . . . . . 0 C--O 1.245 0.859 0 CA-C-O 118.597 -0.716 . . . . 72.44 109.485 179.502 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo . . . . . 0 N--CA 1.478 0.585 0 N-CA-C 110.338 -0.678 . . . . 72.44 110.338 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -154.08 -152.75 6.18 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.61 -0.805 . . . . 35.53 112.117 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 p 54.86 18.63 2.25 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 123.743 0.817 . . . . 54.01 111.963 179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -81.38 174.21 11.71 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.568 . . . . 73.21 110.275 -179.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.8 t -140.96 125.53 17.79 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.276 0.56 . . . . 71.41 110.249 178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.8 m -134.15 154.34 37.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.215 -0.448 . . . . 75.41 110.997 -176.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.7 p -80.42 161.74 24.79 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.809 -0.632 . . . . 72.04 110.16 175.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.452 ' HG3' ' HB3' ' A' ' 11' ' ' LEU . 5.7 tp-100 63.0 27.31 15.86 Favored 'General case' 0 C--O 1.239 0.55 0 CA-C-O 122.271 1.034 . . . . 72.35 109.628 -175.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.1 p -65.04 -22.68 67.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.521 -1.218 . . . . 75.12 111.349 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -67.39 -41.48 84.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 65.43 110.382 176.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.471 HD12 HG13 ' A' ' 38' ' ' ILE . 2.4 tm? -69.31 -40.19 77.81 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.894 -0.78 . . . . 71.13 108.894 176.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -56.32 -54.63 43.14 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.677 -0.692 . . . . 74.31 109.937 174.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.3 -35.61 72.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.788 -0.642 . . . . 73.45 111.52 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.2 tt -60.42 -48.49 81.52 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.037 -0.357 . . . . 72.01 110.037 179.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.637 HD12 HG21 ' A' ' 38' ' ' ILE . 67.3 mt -68.6 -34.29 64.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 75.31 110.51 178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -61.61 -38.09 86.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.351 178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -83.68 -26.33 29.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 71.44 111.308 178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.14 -51.31 21.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.389 -0.369 . . . . 63.32 110.399 177.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 94.4 m-85 -136.66 92.82 14.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.097 -0.501 . . . . 74.13 110.151 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -67.25 -18.18 50.34 Favored 'Trans proline' 0 C--O 1.233 0.24 0 C-N-CA 122.808 2.339 . . . . 74.32 112.05 179.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -97.69 22.9 8.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.778 -0.646 . . . . 73.54 110.362 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.507 ' HA ' ' HB2' ' A' ' 42' ' ' SER . . . -112.09 134.02 53.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.754 -0.657 . . . . 74.4 110.653 178.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.539 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 7.3 mm-40 -78.4 101.09 7.08 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.386 -0.598 . . . . 74.04 109.386 176.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 57.4 mt -87.79 110.89 21.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.051 -0.522 . . . . 75.31 110.293 -178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.532 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 25.9 m -109.16 111.68 23.42 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.09 -0.504 . . . . 60.33 110.764 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 m -83.05 126.94 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.267 -0.424 . . . . 74.44 110.155 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.7 m -125.56 116.47 21.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.367 -0.378 . . . . 63.14 111.23 -175.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.541 ' HB3' ' CE2' ' A' ' 36' ' ' TYR . 2.4 p -85.47 111.36 19.91 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.112 0.482 . . . . 51.11 111.005 178.122 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' H ' HD23 ' A' ' 29' ' ' LEU . 0.9 OUTLIER -106.84 114.48 28.6 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.181 0.515 . . . . 71.35 109.96 178.582 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.1 t -91.15 93.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.723 -0.671 . . . . 71.32 109.894 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -119.14 -115.87 2.61 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.811 -0.709 . . . . 63.24 111.832 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -84.06 -10.8 57.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.539 0.685 . . . . 71.24 109.585 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -155.31 137.81 15.03 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 114.861 -1.063 . . . . 73.15 108.857 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -72.67 93.8 1.67 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.511 -0.551 . . . . 61.41 109.511 177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -122.69 158.81 29.26 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.623 -0.717 . . . . 54.44 109.868 -174.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 28' ' ' SER . 38.9 m-85 -115.84 130.7 56.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.786 0.327 . . . . 71.31 110.664 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -101.89 145.32 29.39 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.903 -0.777 . . . . 63.0 108.903 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.637 HG21 HD12 ' A' ' 15' ' ' ILE . 42.3 mm -112.55 109.13 27.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.839 0 CA-C-O 120.924 0.392 . . . . 73.4 110.596 -177.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 35.4 mtmm -89.46 116.83 27.93 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.725 -0.472 . . . . 73.43 109.725 175.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t -106.37 104.47 17.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.029 -0.532 . . . . 63.22 110.274 -177.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.539 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 41.2 mm -102.67 112.46 36.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.062 -0.517 . . . . 73.31 109.913 179.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.507 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 32.2 t -152.1 147.75 26.83 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.42 -0.512 . . . . 71.22 111.185 -178.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.4 p -64.41 -18.47 64.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.596 -0.729 . . . . 73.12 110.709 177.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -70.82 -16.27 62.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.863 -0.608 . . . . 53.44 110.868 177.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -111.11 -8.76 14.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.887 0.375 . . . . 62.12 110.49 177.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.601 ' HG3' ' HG3' ' A' ' 76' ' ' LYS . 10.3 tt0 -87.61 125.45 34.37 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.777 -175.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 79.37 19.87 70.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 121.083 -0.58 . . . . 61.23 112.495 178.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -105.02 157.31 17.32 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.191 -0.3 . . . . 74.22 110.191 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.478 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 15.6 m -60.58 132.84 55.15 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.262 -0.426 . . . . 74.4 110.35 175.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.512 ' HA ' ' OE1' ' A' ' 53' ' ' GLN . 59.2 mttp -61.67 -40.23 94.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.357 -0.383 . . . . 71.43 110.963 -178.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 96.5 mt -54.27 -46.68 72.75 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.231 -0.441 . . . . 63.51 110.164 177.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.478 ' HG2' ' HB2' ' A' ' 49' ' ' SER . 31.4 mm-40 -63.43 -43.0 98.7 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.858 -0.61 . . . . 71.2 111.081 -178.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.522 ' O ' HG12 ' A' ' 57' ' ' ILE . 81.4 mt-30 -57.87 -47.75 81.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.169 0.509 . . . . 70.33 110.118 178.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -68.94 -39.72 79.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.551 -0.749 . . . . 75.33 110.383 -176.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 51' ' ' LEU . 76.2 mtp180 -53.9 -53.96 45.41 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 121.104 0.478 . . . . 74.14 110.647 175.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 66.2 mtm -62.99 -46.17 88.93 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.503 -0.771 . . . . 75.15 111.131 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 53' ' ' GLN . 41.3 mm -64.47 -42.78 96.24 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 116.64 -0.255 . . . . 62.1 111.036 -178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 16.3 m-30 -66.34 -33.01 74.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.632 0.254 . . . . 75.23 111.061 178.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.07 -38.52 66.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.504 -0.317 . . . . 73.42 110.782 -179.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.458 HG13 HD22 ' A' ' 61' ' ' LEU . 14.8 p -80.54 -31.47 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.409 0 C-N-CA 120.948 -0.301 . . . . 74.32 111.242 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.458 HD22 HG13 ' A' ' 60' ' ' VAL . 4.0 mm? -85.87 6.88 26.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.848 0.356 . . . . 70.44 110.86 176.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -66.66 118.56 10.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.007 -0.542 . . . . 64.21 109.883 176.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 119.72 52.26 0.27 Allowed Glycine 0 N--CA 1.448 -0.519 0 N-CA-C 110.654 -0.978 . . . . 43.43 110.654 -173.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' HB3' ' HB2' ' A' ' 68' ' ' ALA . 3.6 pp -92.82 156.58 16.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.521 -0.34 . . . . 63.23 110.968 -175.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.485 ' HB2' HD12 ' A' ' 66' ' ' ILE . 19.0 m120 -139.62 -57.96 0.57 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.018 -0.537 . . . . 65.22 109.8 177.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.485 HD12 ' HB2' ' A' ' 65' ' ' ASN . 4.6 mp -91.64 -59.27 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.91 -0.586 . . . . 65.41 110.083 -179.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -157.93 137.12 11.7 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.931 -0.766 . . . . 73.33 108.931 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.44 ' HB2' ' HB3' ' A' ' 64' ' ' LEU . . . -107.73 -47.1 3.67 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.816 0.341 . . . . 64.03 111.742 -176.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 pt -79.62 78.37 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.489 0.661 . . . . 52.42 112.467 -174.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.71 18.05 5.2 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.664 -0.698 . . . . 62.22 109.434 171.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.429 HD13 HD12 ' A' ' 57' ' ' ILE . 7.8 tt -111.12 119.1 58.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.421 -0.809 . . . . 61.5 109.894 177.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.431 ' HB2' ' HG2' ' A' ' 39' ' ' LYS . 49.1 mt-30 -113.44 108.51 17.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.874 -0.603 . . . . 75.12 110.197 -177.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.8 p -88.83 138.73 31.15 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.354 -0.385 . . . . 71.51 111.16 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.52 84.34 0.44 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 121.152 -0.547 . . . . 44.31 112.01 177.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 30.1 t -81.68 139.01 35.18 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.123 0.487 . . . . 54.21 111.735 -176.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.601 ' HG3' ' HG3' ' A' ' 46' ' ' GLN . 35.3 mmtp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.267 -0.873 . . . . 72.44 109.2 175.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo . . . . . 0 N--CA 1.477 0.554 0 N-CA-C 110.821 -0.492 . . . . 72.44 110.821 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.63 93.74 1.49 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.994 -0.622 . . . . 35.53 111.969 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 t -114.03 122.91 48.33 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.623 -0.51 . . . . 54.01 109.623 179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -100.5 -43.78 6.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.319 -0.4 . . . . 73.21 110.411 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.859 HG21 ' HA ' ' A' ' 33' ' ' ASN . 31.8 m -73.65 133.87 43.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.208 -0.451 . . . . 71.41 110.288 178.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 m -86.8 160.43 3.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.164 0.506 . . . . 75.41 110.956 -179.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.0 t -87.73 179.7 6.45 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.411 -0.813 . . . . 72.04 109.51 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -73.47 58.63 0.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.032 0.444 . . . . 72.35 110.304 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.541 ' HA ' ' OE1' ' A' ' 12' ' ' GLU . 67.6 m -66.16 -22.65 66.38 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 112.919 0.711 . . . . 75.12 112.919 -172.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -67.64 -40.22 84.58 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.208 -0.597 . . . . 65.43 109.473 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' O ' HG12 ' A' ' 15' ' ' ILE . 3.2 tm? -71.04 -44.07 66.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.726 -0.67 . . . . 71.13 109.293 177.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.541 ' OE1' ' HA ' ' A' ' 9' ' ' SER . 81.4 mt-10 -57.03 -51.59 68.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.033 -0.531 . . . . 74.31 110.205 176.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.6 tt -56.72 -42.76 79.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.796 -0.638 . . . . 73.45 110.441 177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.6 tt -57.22 -49.29 76.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.254 -0.43 . . . . 72.01 110.291 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 11' ' ' LEU . 50.0 mm -59.7 -47.0 92.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.507 -0.315 . . . . 75.31 110.913 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -66.13 -38.25 87.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.307 -0.406 . . . . 75.13 111.368 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.515 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.8 OUTLIER -80.69 -23.07 39.83 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.446 -0.343 . . . . 71.44 111.126 -176.229 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.69 -47.98 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.715 0.293 . . . . 63.32 110.387 176.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -128.94 97.8 25.78 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 74.13 110.513 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -66.45 -25.13 48.73 Favored 'Trans proline' 0 N--CA 1.465 -0.189 0 C-N-CA 122.654 2.236 . . . . 74.32 112.126 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -82.03 -1.79 49.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.723 -0.672 . . . . 73.54 111.247 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.29 129.71 43.55 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.451 -0.34 . . . . 74.4 110.18 178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -92.79 131.23 38.02 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.326 0.584 . . . . 74.04 111.039 178.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -105.6 117.76 51.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.065 -0.97 . . . . 75.31 109.731 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.557 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 14.3 m -119.17 107.68 13.74 Favored 'General case' 0 C--N 1.318 -0.8 0 C-N-CA 120.877 -0.329 . . . . 60.33 110.185 176.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.4 p -83.03 115.13 24.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.645 0.736 . . . . 74.44 110.122 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.934 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 12.0 m -94.71 111.54 23.31 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 115.395 -0.821 . . . . 63.14 110.602 -177.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.601 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 37.5 m -87.08 121.69 29.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.557 -0.747 . . . . 51.11 109.375 177.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.502 ' HG ' HG22 ' A' ' 30' ' ' VAL . 2.4 pt? -135.81 -51.87 0.74 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.837 -0.345 . . . . 71.35 111.725 -175.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.502 HG22 ' HG ' ' A' ' 29' ' ' LEU . 35.6 m -131.44 148.34 32.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.861 0.362 . . . . 71.32 111.407 -174.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 68.34 -173.83 32.03 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.492 -0.777 . . . . 63.24 113.648 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' HA ' ' OH ' ' A' ' 36' ' ' TYR . 25.0 t70 -135.73 -63.36 0.66 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.42 -0.585 . . . . 71.24 109.42 177.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.859 ' HA ' HG21 ' A' ' 5' ' ' THR . 9.1 t-20 -83.92 53.71 2.67 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.866 -0.791 . . . . 73.15 108.866 172.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -136.04 -176.88 4.46 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.403 -0.817 . . . . 61.41 110.568 -174.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -88.18 137.13 32.6 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.965 -0.561 . . . . 54.44 110.3 175.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.601 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 63.4 m-85 -107.76 173.66 6.23 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.943 -0.571 . . . . 71.31 110.287 178.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.934 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 23.3 t -86.52 126.13 34.24 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.888 0.375 . . . . 63.0 110.482 -175.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.3 mm -99.9 105.6 17.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-O 121.117 0.484 . . . . 73.4 109.908 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.557 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 22.0 ttmm -92.68 113.48 25.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.068 -0.514 . . . . 73.43 109.924 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.8 t -98.63 114.53 36.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.765 -0.652 . . . . 63.22 110.479 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mm -106.06 100.21 10.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.884 -0.598 . . . . 73.31 109.721 178.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 15.7 m -125.94 136.49 53.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.818 0.342 . . . . 71.22 110.597 179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 46' ' ' GLN . 7.8 t -67.8 -17.21 64.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.804 -0.635 . . . . 73.12 109.536 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -72.19 -8.6 55.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.412 -0.813 . . . . 53.44 111.434 177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.467 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 46.3 m-85 -99.28 -10.92 21.76 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 111.536 0.198 . . . . 62.12 111.536 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 43' ' ' SER . 19.5 pt20 -78.68 143.61 36.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.364 . . . . 75.13 110.374 -176.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.43 -26.79 12.22 Favored Glycine 0 N--CA 1.451 -0.326 0 N-CA-C 111.371 -0.691 . . . . 61.23 111.371 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -91.8 138.5 31.51 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 109.362 -0.607 . . . . 74.22 109.362 176.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.463 ' HB2' ' OE1' ' A' ' 52' ' ' GLU . 20.2 m -81.19 169.76 16.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.376 -0.375 . . . . 74.4 111.045 -173.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -52.17 -34.14 43.69 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 115.791 -0.64 . . . . 71.43 111.71 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 tt -65.85 -49.7 67.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.386 . . . . 63.51 110.398 -174.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.463 ' OE1' ' HB2' ' A' ' 49' ' ' SER . 2.6 mp0 -58.96 -44.62 91.49 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.19 0.519 . . . . 71.2 110.025 177.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 57' ' ' ILE . 78.7 mt-30 -59.7 -43.75 93.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.561 -0.745 . . . . 70.33 110.527 178.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 37.4 m170 -61.17 -42.45 98.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.309 -0.405 . . . . 75.33 110.966 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.5 mtm180 -58.0 -49.63 76.2 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.321 0.581 . . . . 74.14 110.558 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.45 ' O ' HG23 ' A' ' 60' ' ' VAL . 82.0 mtp -58.63 -52.96 63.46 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 114.975 -1.011 . . . . 75.15 110.434 -177.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.542 HG23 HD13 ' A' ' 71' ' ' ILE . 68.8 mt -57.54 -43.12 82.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-O 121.075 0.464 . . . . 62.1 110.292 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -54.34 -47.98 71.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.391 -0.822 . . . . 75.23 111.355 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 23.9 mmtt -86.04 -23.95 26.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 113.308 0.855 . . . . 73.42 113.308 -178.335 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 56' ' ' MET . 48.2 t -68.02 -47.6 78.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 C-N-CA 120.595 -0.442 . . . . 74.32 110.077 175.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.93 -33.61 45.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.146 -0.479 . . . . 70.44 110.049 176.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t70 61.47 33.76 18.41 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 115.311 -0.859 . . . . 64.21 110.15 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -156.43 149.06 19.8 Favored Glycine 0 N--CA 1.44 -1.073 0 CA-C-N 115.503 -0.771 . . . . 43.43 111.302 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -77.15 99.15 5.3 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.945 0.402 . . . . 63.23 110.462 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -99.08 61.32 1.24 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.068 0.461 . . . . 65.22 110.642 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 58.3 mt -97.7 -34.19 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.895 -0.593 . . . . 65.41 109.571 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 37.2 m80 -62.43 -49.7 74.42 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.689 -0.687 . . . . 73.33 110.066 175.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -129.64 90.36 2.98 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.302 -0.863 . . . . 64.03 109.844 178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.6 tp -82.92 90.72 2.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.868 0.842 . . . . 52.42 110.023 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.89 -2.1 44.54 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.39 -0.823 . . . . 62.22 111.851 -174.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.542 HD13 HG23 ' A' ' 57' ' ' ILE . 8.0 tt -113.15 119.25 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.235 0.54 . . . . 61.5 110.215 174.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -116.74 119.87 36.82 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.333 -0.617 . . . . 75.12 109.333 177.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 47.0 m -107.56 129.74 54.95 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.45 -0.341 . . . . 71.51 111.406 -176.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 82.24 163.44 32.64 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.976 -0.63 . . . . 44.31 113.624 173.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 43.2 t -134.25 139.74 45.96 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.132 -0.692 . . . . 54.21 109.132 175.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.72 -0.657 . . . . 72.44 110.507 -176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 CA--C 1.518 -0.278 0 N-CA-C 110.276 -0.702 . . . . 72.44 110.276 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.8 73.23 0.05 OUTLIER Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 119.944 -1.122 . . . . 35.53 113.293 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 t -88.27 125.01 34.44 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.6 -0.889 . . . . 54.01 108.6 171.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.417 ' HG3' ' O ' ' A' ' 4' ' ' MET . 15.6 tpt 61.9 32.35 17.94 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.84 0.828 . . . . 73.21 109.702 -174.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.1 t -84.8 152.03 23.93 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.692 -0.686 . . . . 71.41 110.126 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.9 p -156.65 135.46 3.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 115.942 -0.572 . . . . 75.41 109.584 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.5 m -81.23 158.64 24.78 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.666 -0.494 . . . . 72.04 109.666 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -76.29 88.79 3.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.411 -0.589 . . . . 72.35 109.411 175.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.3 m -59.3 -33.68 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.324 -0.853 . . . . 75.12 112.113 -174.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.44 -37.44 87.54 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.692 -0.403 . . . . 65.43 110.566 178.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.1 tp -70.44 -42.75 71.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.944 0.402 . . . . 71.13 110.111 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -59.79 -51.42 69.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.825 -0.625 . . . . 74.31 109.785 177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 tt -58.99 -38.96 80.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.661 -0.7 . . . . 73.45 110.662 177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.4 tp -60.0 -49.35 78.01 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.745 0.307 . . . . 72.01 110.487 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.8 mt -64.72 -40.43 89.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.234 -0.439 . . . . 75.31 110.654 179.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -69.08 -33.93 74.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 75.13 111.152 -177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -78.32 -33.33 49.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 71.44 110.599 178.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.06 -45.29 34.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 63.32 110.726 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -126.81 89.81 51.18 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.388 -0.369 . . . . 74.13 110.644 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.72 6.73 3.1 Favored 'Trans proline' 0 CA--C 1.528 0.201 0 C-N-CA 123.012 2.475 . . . . 74.32 111.968 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -115.99 13.18 15.87 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.559 -0.746 . . . . 73.54 110.303 179.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -112.19 131.82 55.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.521 . . . . 74.4 112.204 -174.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.742 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -85.34 106.95 17.1 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.832 -0.803 . . . . 74.04 108.832 174.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.4 mt -90.71 124.17 43.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.874 -0.603 . . . . 75.31 111.549 -174.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.653 ' HB ' ' HE2' ' A' ' 39' ' ' LYS . 86.7 m -135.2 128.79 32.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.297 -0.411 . . . . 60.33 110.643 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.1 m -100.42 121.26 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.0 0.429 . . . . 74.44 110.174 174.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 57.6 m -120.85 121.13 37.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.233 -0.44 . . . . 63.14 111.293 -176.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.5 m -80.74 131.11 35.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.291 -0.413 . . . . 51.11 110.245 177.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.514 HD11 ' HB2' ' A' ' 37' ' ' SER . 7.6 mp -78.82 82.62 5.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.458 -0.337 . . . . 71.35 110.803 -177.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.4 m 40.26 31.12 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.553 1.141 . . . . 71.32 112.834 -177.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -164.47 124.94 1.31 Allowed Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 111.217 -0.753 . . . . 63.24 111.217 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -67.49 -40.07 85.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.834 0.349 . . . . 71.24 111.083 -172.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -111.47 13.11 21.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.859 0.361 . . . . 73.15 110.984 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.03 -79.44 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.914 0.388 . . . . 61.41 110.748 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 -146.19 152.84 39.88 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.277 -0.42 . . . . 54.44 110.327 179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -119.48 135.5 54.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.187 -0.46 . . . . 71.31 110.019 177.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.514 ' HB2' HD11 ' A' ' 29' ' ' LEU . 9.6 t -106.46 126.22 51.98 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.958 -0.756 . . . . 63.0 108.958 173.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 38' ' ' ILE . 3.8 mp -99.83 104.27 15.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 109.445 -0.576 . . . . 73.4 109.445 -179.062 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.653 ' HE2' ' HB ' ' A' ' 25' ' ' THR . 29.6 ttpt -87.02 116.0 24.78 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.777 -0.647 . . . . 73.43 110.219 -178.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.403 HG13 ' HB1' ' A' ' 22' ' ' ALA . 61.4 t -113.07 104.28 16.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 115.958 -0.564 . . . . 63.22 109.497 177.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.742 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 39.6 mm -95.11 107.79 19.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.137 0.494 . . . . 73.31 110.785 -179.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.2 t -151.06 136.36 17.67 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.532 -0.758 . . . . 71.22 109.52 177.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.1 m -70.37 -2.45 13.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.324 0.583 . . . . 73.12 110.486 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -79.98 -20.65 45.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.591 -0.731 . . . . 53.44 110.371 176.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -88.43 -10.84 47.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.468 -0.333 . . . . 62.12 111.504 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -81.08 127.61 32.81 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 110.179 -0.304 . . . . 75.13 110.179 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.07 2.23 58.18 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.723 -0.751 . . . . 61.23 112.033 -179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -92.51 132.98 36.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.142 -0.318 . . . . 74.22 110.142 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.1 m -75.91 157.04 33.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.095 -0.502 . . . . 74.4 110.283 178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -54.82 -41.94 71.29 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.594 0.59 . . . . 71.43 112.594 -174.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.08 -44.33 96.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.701 -0.4 . . . . 63.51 110.404 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -64.31 -41.38 96.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.993 -0.549 . . . . 71.2 110.487 177.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.513 ' O ' HG12 ' A' ' 57' ' ' ILE . 54.2 mt-30 -57.7 -47.29 82.78 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.146 -0.479 . . . . 70.33 110.022 176.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 52.3 m170 -62.05 -48.12 81.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.757 -0.656 . . . . 75.33 110.028 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -54.52 -50.95 66.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.887 -0.597 . . . . 74.14 111.382 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 70.8 mtm -62.13 -47.81 82.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 75.15 111.128 -177.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 53' ' ' GLN . 37.7 mm -64.36 -48.04 87.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.541 -0.299 . . . . 62.1 111.213 -178.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.515 ' HB3' HD23 ' A' ' 64' ' ' LEU . 17.9 m-85 -63.95 -31.21 72.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.514 -0.312 . . . . 75.23 111.001 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -73.07 -48.95 31.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.712 -0.222 . . . . 73.42 111.169 178.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.7 p -70.85 -34.74 57.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 120.863 0.363 . . . . 74.32 111.484 -176.029 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 77.6 mt -85.99 -15.49 41.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.756 0.312 . . . . 70.44 110.194 176.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 t70 55.97 77.79 0.22 Allowed 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.182 -0.917 . . . . 64.21 110.774 -178.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.5 83.69 0.1 Allowed Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.239 -0.892 . . . . 43.43 111.854 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.515 HD23 ' HB3' ' A' ' 58' ' ' TYR . 80.2 mt -83.15 -4.76 58.71 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.942 0.401 . . . . 63.23 110.907 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -79.91 -64.08 1.27 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.925 -0.58 . . . . 65.22 111.618 -176.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 13.2 tt -77.52 139.7 18.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.068 0.461 . . . . 65.41 111.142 -175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -120.58 84.72 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 73.33 109.949 177.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -136.93 123.63 21.13 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.647 -0.706 . . . . 64.03 110.228 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.427 ' N ' HD12 ' A' ' 69' ' ' ILE . 3.5 mp -81.09 83.78 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.824 0.821 . . . . 52.42 110.063 -179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -104.76 4.88 32.83 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.031 -0.986 . . . . 62.22 109.133 175.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 3.3 tp -96.95 122.83 48.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.957 -1.02 . . . . 61.5 109.242 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.55 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . 8.9 tp-100 -106.28 110.02 22.13 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.289 0.566 . . . . 75.12 110.829 -175.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.3 p -124.1 146.5 48.58 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.512 -0.767 . . . . 71.51 109.937 177.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.4 38.57 3.14 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.879 -0.677 . . . . 44.31 113.032 -176.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 37.7 t -100.48 150.12 22.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.865 -0.42 . . . . 54.21 109.865 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.498 ' HD2' ' N ' ' A' ' 76' ' ' LYS . 11.3 mptt . . . . . 0 C--O 1.245 0.83 0 CA-C-O 118.708 -0.663 . . . . 72.44 110.188 -177.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo . . . . . 0 N--CA 1.483 0.862 0 N-CA-C 110.679 -0.547 . . . . 72.44 110.679 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.16 -110.51 3.53 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 121.286 -0.483 . . . . 35.53 113.537 172.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -63.42 -24.18 67.72 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 122.969 0.508 . . . . 54.01 112.287 -171.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 62.4 mtt -82.74 -5.63 59.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.997 0.427 . . . . 73.21 111.012 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.6 p -125.33 174.12 8.37 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.063 -0.517 . . . . 71.41 110.238 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 m -121.4 133.0 69.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.135 0.493 . . . . 75.41 110.801 177.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.5 t -113.18 166.78 11.12 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.765 -0.652 . . . . 72.04 109.267 175.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -76.05 90.66 3.05 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.741 -0.466 . . . . 72.35 109.741 177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.7 p -59.52 -34.64 72.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.523 -0.762 . . . . 75.12 111.469 -177.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.7 tm0? -64.1 -38.43 91.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.33 -0.396 . . . . 65.43 110.119 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.4 tp -68.63 -50.58 50.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.323 -0.399 . . . . 71.13 110.225 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -52.85 -52.29 57.77 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.814 -0.63 . . . . 74.31 110.372 176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.24 -47.36 86.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.6 -0.727 . . . . 73.45 111.305 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.6 tp -57.97 -50.87 71.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.646 0.26 . . . . 72.01 111.166 -176.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.5 mt -68.89 -39.76 80.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.308 -0.406 . . . . 75.31 110.781 -177.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -66.26 -38.46 87.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.502 -0.317 . . . . 75.13 110.964 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.96 -32.92 59.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.441 -0.345 . . . . 71.44 110.603 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.21 -49.94 17.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.39 -0.368 . . . . 63.32 111.212 179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -131.71 96.95 19.66 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.85 0.357 . . . . 74.13 110.806 -179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 8.3 Cg_exo -72.81 -12.09 26.18 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.844 2.363 . . . . 74.32 112.166 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -96.8 10.24 39.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.985 -0.552 . . . . 73.54 110.93 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.08 133.16 52.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.969 0.414 . . . . 74.4 111.124 -178.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.83 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 2.5 mp0 -81.31 114.56 20.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.891 -0.595 . . . . 74.04 109.938 174.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 31.7 mt -92.93 111.02 23.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.71 -0.677 . . . . 75.31 110.418 -177.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.483 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 27.3 m -127.78 105.68 8.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.03 0.443 . . . . 60.33 111.291 179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.1 m -83.37 128.21 38.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.21 0.529 . . . . 74.44 110.664 176.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.402 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 8.2 m -106.28 125.02 50.49 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.996 -0.547 . . . . 63.14 109.758 178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 28.8 p -91.73 125.04 36.3 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.664 0.268 . . . . 51.11 111.039 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.41 ' HB3' ' H ' ' A' ' 30' ' ' VAL . 3.2 mm? -124.83 -160.67 0.96 Allowed 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.291 -0.633 . . . . 71.35 109.291 176.699 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.41 ' H ' ' HB3' ' A' ' 29' ' ' LEU . 7.1 p -66.13 135.77 27.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.907 -0.405 . . . . 71.32 109.907 175.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 84.37 46.59 5.77 Favored Glycine 0 N--CA 1.45 -0.4 0 N-CA-C 110.752 -0.939 . . . . 63.24 110.752 -174.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -47.45 -68.66 0.17 Allowed 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 123.638 0.775 . . . . 71.24 112.543 -172.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -79.8 17.35 0.95 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.039 -0.528 . . . . 73.15 112.332 -168.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -124.04 -35.33 2.85 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.75 -0.38 . . . . 61.41 111.101 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.3 p80 -156.99 115.6 3.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.177 0.513 . . . . 54.44 111.778 -178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -103.87 157.83 16.82 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.038 -0.727 . . . . 71.31 109.038 172.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.402 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 37.9 m -90.44 118.69 30.11 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.785 -0.82 . . . . 63.0 108.785 173.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 5.9 tp -99.46 110.94 27.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-O 121.686 0.755 . . . . 73.4 111.03 -173.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 68.9 mttm -86.16 109.55 18.96 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 115.146 -0.934 . . . . 73.43 109.588 175.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.4 t -97.25 103.94 15.29 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.338 -0.986 . . . . 63.22 108.338 172.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.83 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 21.1 mm -97.29 103.79 15.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.685 -0.689 . . . . 73.31 109.692 -175.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 43.4 t -149.14 135.08 18.94 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.244 -0.434 . . . . 71.22 110.562 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 46.5 t -61.23 -16.41 44.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.563 -0.744 . . . . 73.12 110.469 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -74.18 -14.24 60.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.738 -0.665 . . . . 53.44 111.417 -178.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -92.84 -10.99 34.78 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.883 0.373 . . . . 62.12 111.012 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -94.81 125.6 39.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 75.13 110.465 -175.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.16 -22.67 39.69 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.868 -0.682 . . . . 61.23 111.467 -177.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.8 tptp -70.51 151.71 44.79 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.785 -0.45 . . . . 74.22 109.785 177.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.641 ' HB3' ' HG3' ' A' ' 52' ' ' GLU . 19.3 t -66.28 149.46 50.32 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 110.175 -0.305 . . . . 74.4 110.175 176.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.4 mmtm -64.21 -31.12 72.2 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.151 -0.314 . . . . 71.43 110.151 175.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.9 tp -62.54 -44.13 97.11 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 109.621 -0.511 . . . . 63.51 109.621 175.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.641 ' HG3' ' HB3' ' A' ' 49' ' ' SER . 44.3 mt-10 -61.57 -49.09 78.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.778 -0.646 . . . . 71.2 109.823 176.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.478 ' O ' HG12 ' A' ' 57' ' ' ILE . 35.5 mt-30 -54.47 -47.06 73.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.526 -0.761 . . . . 70.33 111.289 178.342 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -64.13 -43.07 96.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.574 -0.285 . . . . 75.33 111.009 -179.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 30.2 mtp180 -66.77 -41.96 86.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.439 -0.346 . . . . 74.14 111.332 178.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 88.0 mtp -60.27 -50.29 74.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.415 -0.357 . . . . 75.15 110.217 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.737 ' HA ' HG22 ' A' ' 60' ' ' VAL . 39.1 mm -63.07 -38.0 80.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.186 0.517 . . . . 62.1 110.312 178.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.601 ' HD1' ' HB3' ' A' ' 65' ' ' ASN . 43.2 t80 -58.83 -38.51 78.84 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.513 -0.767 . . . . 75.23 110.416 178.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -85.88 -39.48 16.96 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 112.198 0.444 . . . . 73.42 112.198 -179.153 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 57' ' ' ILE . 33.7 m -67.1 -35.58 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 C-N-CA 120.478 -0.489 . . . . 74.32 111.249 -178.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 75.8 mt -79.2 -27.48 42.57 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.279 -0.637 . . . . 70.44 109.279 173.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.8 t70 53.75 73.07 0.4 Allowed 'General case' 0 C--O 1.233 0.224 0 CA-C-N 114.749 -1.114 . . . . 64.21 110.816 178.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -179.87 -162.7 29.25 Favored Glycine 0 N--CA 1.439 -1.124 0 N-CA-C 110.635 -0.986 . . . . 43.43 110.635 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.4 mt -90.48 96.42 10.64 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.006 0.431 . . . . 63.23 111.004 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.601 ' HB3' ' HD1' ' A' ' 58' ' ' TYR . 40.6 t30 -84.0 111.58 19.41 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.754 -0.657 . . . . 65.22 109.612 176.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.7 pt -99.27 -39.29 7.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.828 -0.624 . . . . 65.41 112.532 -172.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 22.2 m-70 -149.77 149.28 30.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.049 -0.352 . . . . 73.33 110.049 -177.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.42 66.42 3.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.326 0.584 . . . . 64.03 110.923 178.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.5 mm -105.61 -45.63 8.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.695 -0.684 . . . . 52.42 110.44 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -78.76 -35.47 44.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.745 -0.662 . . . . 62.22 110.907 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.4 tp -97.37 129.95 46.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.107 -0.497 . . . . 61.5 111.188 -174.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.46 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 86.2 mt-30 -125.67 116.67 22.04 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.531 -0.544 . . . . 75.12 109.531 174.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.6 p -114.44 127.68 55.95 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.256 -0.429 . . . . 71.51 111.256 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.64 125.24 4.62 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.764 -0.732 . . . . 44.31 111.857 -178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.42 ' HB3' HD12 ' A' ' 41' ' ' ILE . 14.5 p -83.27 115.62 22.05 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.022 0.439 . . . . 54.21 110.38 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? . . . . . 0 C--O 1.253 1.255 0 CA-C-N 115.642 -0.708 . . . . 72.44 109.679 -179.884 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_endo . . . . . 0 N--CA 1.477 0.528 0 N-CA-C 110.629 -0.566 . . . . 72.44 110.629 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -99.22 -144.27 16.26 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.827 -0.701 . . . . 35.53 112.463 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 m -77.73 91.97 4.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.137 0.494 . . . . 54.01 110.358 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 83.9 mtp -94.99 137.56 33.88 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.935 -0.575 . . . . 73.21 110.57 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.8 p -84.27 152.52 24.12 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.09 -0.505 . . . . 71.41 110.628 177.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 m -93.5 150.85 3.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.169 0.509 . . . . 75.41 111.22 -176.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 47.7 p -96.79 167.3 11.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.64 -0.709 . . . . 72.04 110.683 -179.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -71.97 -17.85 62.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 72.35 110.43 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.7 m -61.39 -38.32 86.61 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.029 -0.532 . . . . 75.12 110.587 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -62.34 -43.29 99.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.793 -0.64 . . . . 65.43 110.032 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 58.9 tp -65.16 -46.94 78.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.461 -0.791 . . . . 71.13 110.583 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HA ' HD13 ' A' ' 24' ' ' ILE . 29.8 mt-10 -57.82 -51.15 70.76 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.513 -0.312 . . . . 74.31 111.023 178.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.412 ' HG ' ' OD1' ' A' ' 17' ' ' ASN . 0.4 OUTLIER -56.14 -48.13 76.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.449 -0.341 . . . . 73.45 110.91 179.694 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.56 -51.25 65.83 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.99 0.424 . . . . 72.01 111.115 -178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.416 ' HB ' ' CD1' ' A' ' 24' ' ' ILE . 48.4 mm -67.94 -39.69 82.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.798 -0.637 . . . . 75.31 110.75 -178.242 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -72.54 -24.03 61.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 75.13 111.227 -176.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' HG ' ' A' ' 13' ' ' LEU . 11.0 m120 -81.58 -44.71 16.89 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.821 -0.437 . . . . 71.44 109.821 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.39 -46.98 80.94 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 116.002 -0.544 . . . . 63.32 110.857 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.569 ' HE2' ' HB ' ' A' ' 60' ' ' VAL . 91.7 m-85 -126.23 95.33 39.12 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-N 116.243 -0.435 . . . . 74.13 110.398 176.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -67.01 -15.31 46.52 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.893 2.395 . . . . 74.32 111.617 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -88.42 -11.43 46.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.332 -0.849 . . . . 73.54 110.917 -177.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.468 ' HB1' HG13 ' A' ' 40' ' ' VAL . . . -96.06 129.44 43.34 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.366 0.506 . . . . 74.4 112.366 -170.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.615 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 60.7 mm-40 -88.77 124.8 34.49 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.558 -0.747 . . . . 74.04 109.345 173.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 12' ' ' GLU . 33.3 mt -94.13 110.75 24.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.442 -176.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.552 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 15.6 m -109.64 105.79 15.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.839 0.352 . . . . 60.33 110.62 178.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 46.9 t -85.15 106.54 15.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.466 -178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 49.0 m -96.78 123.35 40.45 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 63.14 110.515 179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.411 ' HA ' ' CD1' ' A' ' 36' ' ' TYR . 23.1 t -78.97 134.52 36.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.225 -0.443 . . . . 51.11 110.105 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 35' ' ' HIS . 62.5 mt -102.01 125.29 48.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.014 0.435 . . . . 71.35 110.251 -178.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -65.88 167.43 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 71.32 112.16 -176.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.05 -134.03 9.64 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.953 -0.641 . . . . 63.24 112.063 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -136.05 0.25 2.6 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.385 0.612 . . . . 71.24 110.407 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -100.48 146.6 26.85 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.95 -0.568 . . . . 73.15 109.966 -178.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.94 80.0 5.3 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.208 -0.664 . . . . 61.41 109.208 175.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.623 ' HB3' HD12 ' A' ' 29' ' ' LEU . 1.4 m-70 -122.9 135.98 54.7 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.509 -0.769 . . . . 54.44 110.097 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.411 ' CD1' ' HA ' ' A' ' 28' ' ' SER . 95.2 m-85 -132.28 159.08 40.17 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.909 -0.587 . . . . 71.31 110.085 177.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.2 m -118.54 119.31 34.14 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.058 -0.719 . . . . 63.0 109.058 171.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 21.5 pt -99.36 105.64 17.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.644 0.735 . . . . 73.4 109.981 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.552 ' HB3' ' HB ' ' A' ' 25' ' ' THR . 39.2 ttpt -85.97 113.22 21.9 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.083 -0.962 . . . . 73.43 110.16 -177.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.468 HG13 ' HB1' ' A' ' 22' ' ' ALA . 45.8 t -91.99 107.09 18.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.288 -0.869 . . . . 63.22 110.184 -179.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.615 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 47.9 mm -94.89 103.9 15.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.21 -0.45 . . . . 73.31 110.334 178.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.447 ' HB2' ' HA ' ' A' ' 22' ' ' ALA . 37.2 t -157.35 130.96 7.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.865 0.364 . . . . 71.22 110.698 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.3 t -66.28 -13.55 60.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 73.12 110.451 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 82.2 mm-40 -62.93 -26.45 68.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 53.44 110.739 175.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -89.11 -9.87 49.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.033 0.444 . . . . 62.12 110.812 178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.42 137.57 32.83 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.291 -0.633 . . . . 75.13 109.291 -179.563 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.43 -9.28 62.69 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.191 -0.528 . . . . 61.23 112.445 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 48' ' ' LYS . 12.2 mptt -103.81 149.44 25.04 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 110.195 -0.298 . . . . 74.22 110.195 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.519 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 44.4 m -84.46 171.08 12.87 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.227 -0.286 . . . . 74.4 110.227 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -51.84 -46.09 64.23 Favored 'General case' 0 N--CA 1.465 0.3 0 N-CA-C 112.724 0.638 . . . . 71.43 112.724 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.55 -47.47 85.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.825 0.345 . . . . 63.51 110.551 -176.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.422 ' HB2' ' HB3' ' A' ' 48' ' ' LYS . 44.2 mt-10 -58.72 -46.08 88.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.865 -0.607 . . . . 71.2 110.616 177.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.519 ' HG3' ' O ' ' A' ' 49' ' ' SER . 49.9 mt-30 -60.09 -47.29 86.51 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.946 -0.57 . . . . 70.33 110.807 -178.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.0 m170 -63.15 -41.27 99.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.315 -178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 22.9 mtt180 -64.74 -37.19 86.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.505 -0.316 . . . . 74.14 111.469 178.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 74.1 mtm -65.63 -36.84 84.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.873 0.368 . . . . 75.15 110.122 176.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.794 HG23 HD13 ' A' ' 71' ' ' ILE . 86.3 mt -61.73 -41.48 90.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.971 -0.559 . . . . 62.1 110.209 174.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.402 ' CD2' ' HA ' ' A' ' 55' ' ' ARG . 23.8 m-85 -64.59 -35.06 79.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 75.23 110.638 177.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 55' ' ' ARG . 54.9 mtpt -65.09 -51.66 60.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 73.42 111.54 178.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.569 ' HB ' ' HE2' ' A' ' 19' ' ' PHE . 7.7 p -72.87 -36.47 52.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.273 -0.421 . . . . 74.32 112.116 -173.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.516 HD13 ' O ' ' A' ' 61' ' ' LEU . 2.2 tm? -89.43 -26.87 20.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.67 0.271 . . . . 70.44 110.559 -176.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 57.05 70.16 0.68 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.343 0.592 . . . . 64.21 109.655 -171.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -105.5 -157.52 22.63 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.642 -0.789 . . . . 43.43 112.67 -175.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -149.85 -164.66 2.07 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.195 -0.668 . . . . 63.23 109.195 -177.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -70.22 83.2 0.54 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.636 0.731 . . . . 65.22 111.209 178.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 pt -104.78 177.64 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.699 -0.682 . . . . 65.41 110.711 -179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -135.21 -10.14 2.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.285 -0.416 . . . . 73.33 110.671 178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -83.48 149.76 26.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.841 0.353 . . . . 64.03 110.948 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 60.3 mt -109.59 95.49 3.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.219 -0.446 . . . . 52.42 110.183 178.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -106.26 -13.86 15.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.105 -0.498 . . . . 62.22 110.979 179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.794 HD13 HG23 ' A' ' 57' ' ' ILE . 17.4 tt -119.98 138.83 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.093 0.473 . . . . 61.5 111.18 -175.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.454 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 6.3 tp60 -133.49 148.87 51.72 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.703 -0.851 . . . . 75.12 108.703 177.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 15.4 p -120.54 141.62 50.1 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.12 0.486 . . . . 71.51 111.529 -178.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.476 ' HA3' HD13 ' A' ' 41' ' ' ILE . . . -86.75 82.37 1.64 Allowed Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 111.226 -0.75 . . . . 44.31 111.226 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 39.2 m -116.39 136.43 53.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.848 -0.176 . . . . 54.21 110.994 -176.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.278 -0.867 . . . . 72.44 110.56 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo . . . . . 0 N--CA 1.479 0.62 0 N-CA-C 110.495 -0.617 . . . . 72.44 110.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -89.98 -102.1 1.13 Allowed Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.807 -0.711 . . . . 35.53 111.504 176.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 m -135.54 145.76 47.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 110.348 -0.241 . . . . 54.01 110.348 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.7 ttt -78.96 69.97 5.21 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.373 -0.602 . . . . 73.21 109.373 175.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.4 p -86.61 110.26 19.71 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.602 -0.726 . . . . 71.41 111.84 -175.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.53 132.78 34.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.654 -0.869 . . . . 75.41 108.654 172.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.3 m -87.93 158.64 18.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.98 -0.378 . . . . 72.04 109.98 -178.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -89.42 93.32 9.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.967 0.413 . . . . 72.35 109.911 179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 m -65.3 -26.26 67.99 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.635 -0.711 . . . . 75.12 110.892 -176.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 57.0 tt0 -66.45 -40.84 89.67 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.489 . . . . 65.43 110.297 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.6 -41.83 83.41 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.42 -0.585 . . . . 71.13 109.42 178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -62.44 -41.17 98.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.808 -0.633 . . . . 74.31 110.372 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.09 -39.71 90.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.003 -0.544 . . . . 73.45 110.302 177.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 67.9 tp -60.37 -50.8 72.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.158 -0.474 . . . . 72.01 110.402 177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.16 -35.43 75.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.643 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.478 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -68.4 -33.1 73.63 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 75.13 110.532 -178.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -81.17 -29.58 34.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.937 -0.305 . . . . 71.44 110.905 177.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.0 -55.3 5.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.376 -0.374 . . . . 63.32 110.991 177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -132.32 84.0 53.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 74.13 109.885 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -66.93 -43.52 6.67 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.812 2.342 . . . . 74.32 113.445 -173.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -86.52 -2.45 58.48 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.464 -0.335 . . . . 73.54 111.789 -173.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.2 162.99 21.06 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.5 -0.318 . . . . 74.4 110.694 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.959 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 7.6 tp10 -74.98 103.73 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.698 -0.482 . . . . 74.04 109.698 176.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 63.9 mt -91.99 110.83 23.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.86 -0.609 . . . . 75.31 110.073 179.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 27.9 m -132.33 123.59 27.13 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 116.334 -0.393 . . . . 60.33 110.593 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 m -93.15 120.61 42.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-O 121.106 0.479 . . . . 74.44 109.773 174.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.951 ' HB ' ' HB2' ' A' ' 37' ' ' SER . 31.4 m -93.23 105.21 17.32 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.069 0.462 . . . . 63.14 110.059 -177.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.4 m -89.61 108.47 19.69 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.704 -0.68 . . . . 51.11 109.952 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.523 ' H ' HD23 ' A' ' 29' ' ' LEU . 2.5 pt? -128.44 -170.02 2.18 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.646 -0.707 . . . . 71.35 109.534 -178.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.96 96.43 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.929 0.871 . . . . 71.32 110.236 174.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.99 40.93 1.42 Allowed Glycine 0 N--CA 1.446 -0.674 0 CA-C-N 115.101 -0.954 . . . . 63.24 111.112 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 60.01 20.18 9.29 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.055 0.542 . . . . 71.24 110.85 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 61.8 18.5 9.77 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.422 -0.808 . . . . 73.15 111.285 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -119.45 -55.32 2.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.381 -0.372 . . . . 61.41 110.959 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.463 ' HB3' HE22 ' A' ' 70' ' ' GLN . 5.0 m80 -99.79 123.2 43.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.004 0.43 . . . . 54.44 111.362 -177.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -116.09 163.7 15.55 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.593 -0.73 . . . . 71.31 109.402 178.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.951 ' HB2' ' HB ' ' A' ' 27' ' ' THR . 28.4 m -86.46 139.08 31.24 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.961 0.41 . . . . 63.0 110.756 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.8 mp -100.02 113.89 36.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 109.517 -0.549 . . . . 73.4 109.517 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -110.97 116.72 31.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.041 0.448 . . . . 73.43 110.413 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.3 t -121.49 107.58 20.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.943 -0.571 . . . . 63.22 110.056 -179.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.959 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 49.7 mm -96.13 107.62 19.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.176 0.512 . . . . 73.31 110.188 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.9 t -141.98 147.8 37.54 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.711 -0.677 . . . . 71.22 109.857 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.7 m -63.91 -14.42 53.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.39 -0.368 . . . . 73.12 110.961 177.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.54 -15.29 61.77 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-O 120.894 0.378 . . . . 53.44 110.757 176.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.437 ' HB3' ' CA ' ' A' ' 74' ' ' GLY . 60.2 m-85 -105.83 -10.56 16.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.229 -0.441 . . . . 62.12 111.009 178.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -87.64 133.15 33.87 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.922 0.391 . . . . 75.13 110.588 -173.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.96 12.95 83.0 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.982 -0.553 . . . . 61.23 112.7 179.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 mmmt -93.68 143.11 26.61 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.853 -0.425 . . . . 74.22 109.853 -179.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.8 m -79.63 170.89 15.89 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 109.581 -0.526 . . . . 74.4 109.581 176.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 54' ' ' HIS . 9.9 mtmp? -53.43 -42.7 67.35 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.774 0.287 . . . . 71.43 111.774 -178.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.62 -56.1 24.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.674 0.274 . . . . 63.51 110.774 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -57.89 -43.68 86.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.935 -0.575 . . . . 71.2 111.462 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' O ' HG12 ' A' ' 57' ' ' ILE . 46.5 mt-30 -65.39 -43.58 90.23 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.618 -0.264 . . . . 70.33 111.138 -178.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.423 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 37.9 m170 -60.81 -41.48 95.77 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.844 -0.428 . . . . 75.33 109.844 178.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -60.64 -46.06 91.73 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.7 -0.682 . . . . 74.14 111.111 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.4 mmm -62.03 -44.65 96.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.063 -0.517 . . . . 75.15 110.943 -177.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.532 ' HA ' HG12 ' A' ' 60' ' ' VAL . 40.3 mm -68.12 -38.22 79.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 62.1 110.461 178.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.03 -31.78 72.21 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.117 0.484 . . . . 75.23 110.332 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.415 ' HE3' ' HB2' ' A' ' 59' ' ' LYS . 38.3 ttmt -75.06 -46.64 33.46 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.789 -0.641 . . . . 73.42 110.931 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.532 HG12 ' HA ' ' A' ' 57' ' ' ILE . 11.4 p -71.83 -38.53 65.7 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 CA-C-O 120.647 0.26 . . . . 74.32 111.281 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' HG ' HG13 ' A' ' 60' ' ' VAL . 90.8 mt -98.93 35.89 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.113 0.482 . . . . 70.44 110.362 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -58.11 140.43 52.74 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.35 -0.841 . . . . 64.21 111.729 -177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 147.88 -43.16 0.84 Allowed Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 111.098 -0.801 . . . . 43.43 111.098 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 90.8 mt -139.68 175.29 9.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.395 -0.594 . . . . 63.23 109.395 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -78.85 78.4 5.29 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.679 -1.23 . . . . 65.22 107.679 171.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.409 HG21 ' HB2' ' A' ' 61' ' ' LEU . 6.3 tp -66.05 114.64 3.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 114.748 -1.114 . . . . 65.41 113.305 -166.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -77.04 90.02 3.59 Favored 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 107.365 -1.346 . . . . 73.33 107.365 165.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.1 120.19 14.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.597 -0.729 . . . . 64.03 112.134 -171.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.625 HG22 ' HG3' ' A' ' 70' ' ' GLN . 59.6 mt -123.9 146.56 29.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 108.509 -0.923 . . . . 52.42 108.509 173.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.625 ' HG3' HG22 ' A' ' 69' ' ' ILE . 97.0 mt-30 68.26 21.4 8.48 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.596 0.56 . . . . 62.22 110.848 -178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 5.2 tp -97.26 126.25 50.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.72 -0.673 . . . . 61.5 109.197 174.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -123.92 107.81 11.76 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.176 0.513 . . . . 75.12 109.685 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 10.6 p -155.81 145.1 20.82 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.365 -0.834 . . . . 71.51 110.669 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.437 ' CA ' ' HB3' ' A' ' 45' ' ' PHE . . . 66.67 -131.83 31.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 121.072 -0.585 . . . . 44.31 113.857 171.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 51.0 t -125.31 117.22 23.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.264 0.554 . . . . 54.21 111.203 -173.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? . . . . . 0 C--O 1.249 1.052 0 CA-C-N 115.444 -0.798 . . . . 72.44 109.445 176.759 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo . . . . . 0 N--CA 1.476 0.464 0 N-CA-C 110.261 -0.707 . . . . 72.44 110.261 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -115.71 152.08 18.15 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.642 -0.789 . . . . 35.53 112.57 -177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.4 t -137.3 133.25 34.76 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.555 -0.535 . . . . 54.01 109.555 177.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.0 mtp -103.79 71.18 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.838 0.351 . . . . 73.21 110.455 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 m -76.99 111.09 12.17 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.138 -0.483 . . . . 71.41 109.755 178.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.0 p -95.07 133.08 37.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.062 0.458 . . . . 75.41 110.723 -178.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.06 176.8 6.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.555 . . . . 72.04 109.694 178.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -119.21 81.4 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.857 0.36 . . . . 72.35 110.388 -176.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 p -52.03 -52.87 48.02 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.734 0.642 . . . . 75.12 112.734 -172.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -70.89 -25.26 62.71 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.858 -0.337 . . . . 65.43 111.071 -177.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.06 -50.94 24.23 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.132 -0.692 . . . . 71.13 109.132 177.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.513 ' HG3' HG21 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -51.27 -47.2 62.57 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.043 -0.526 . . . . 74.31 110.426 173.509 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.5 tt -58.47 -47.48 83.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.671 -0.695 . . . . 73.45 110.671 177.487 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.74 -48.58 80.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 72.01 110.849 -179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.8 mm -64.24 -41.22 91.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.365 -0.38 . . . . 75.31 110.838 -179.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -66.01 -30.98 71.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 75.13 111.06 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -80.42 -32.99 37.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.511 -0.313 . . . . 71.44 111.018 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.26 -47.44 43.09 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.134 0.493 . . . . 63.32 110.433 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -131.58 99.46 17.12 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 115.607 -0.724 . . . . 74.13 109.812 178.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.7 -26.76 45.49 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.63 2.22 . . . . 74.32 112.101 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -96.54 35.33 1.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.625 -0.716 . . . . 73.54 110.365 -178.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -114.45 139.86 49.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.991 0.424 . . . . 74.4 111.993 -177.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.692 ' HB2' ' HB ' ' A' ' 41' ' ' ILE . 13.9 mm-40 -91.48 119.72 31.69 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.58 -0.736 . . . . 74.04 109.516 171.38 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.513 HG21 ' HG3' ' A' ' 12' ' ' GLU . 4.6 mp -99.92 110.98 28.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.816 0.341 . . . . 75.31 110.115 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.556 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 22.9 m -115.31 107.75 15.66 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.058 0.456 . . . . 60.33 111.049 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 40.7 t -84.05 107.77 15.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.865 -0.607 . . . . 74.44 109.64 176.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.9 t -109.27 142.68 39.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.38 0.61 . . . . 63.14 111.503 -174.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.2 m -93.64 130.9 39.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.35 -0.841 . . . . 51.11 109.8 178.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -70.02 -36.75 75.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.568 -0.287 . . . . 71.35 111.032 -178.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t 61.72 89.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.527 0.679 . . . . 71.32 109.785 -175.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 129.52 -41.24 1.57 Allowed Glycine 0 N--CA 1.446 -0.649 0 N-CA-C 110.181 -1.167 . . . . 63.24 110.181 -171.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -117.47 102.41 9.18 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.411 -0.959 . . . . 71.24 108.411 169.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -112.55 17.31 19.33 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.792 0.329 . . . . 73.15 111.834 -173.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -68.33 -30.03 68.91 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.208 0.528 . . . . 61.41 110.347 176.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -160.39 163.88 32.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.592 -0.731 . . . . 54.44 109.361 178.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -105.77 153.38 21.96 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.371 -0.604 . . . . 71.31 109.371 177.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.2 m -91.75 133.93 35.17 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.851 0.358 . . . . 63.0 110.703 -176.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mm -99.61 107.27 20.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.087 -0.506 . . . . 73.4 109.886 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.556 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 54.0 mtpt -92.45 121.51 33.99 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.003 -0.544 . . . . 73.43 110.116 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.86 111.83 37.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.99 -0.55 . . . . 63.22 110.552 -179.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.692 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 45.7 mm -105.52 98.62 7.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 109.621 -0.511 . . . . 73.31 109.621 176.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 27.2 t -131.94 141.98 49.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.107 0.48 . . . . 71.22 111.208 -178.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.3 m -66.53 -5.12 10.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.46 -0.791 . . . . 73.12 111.047 178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -84.77 -6.45 59.35 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.282 -0.417 . . . . 53.44 111.235 177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.417 ' CD2' ' HB3' ' A' ' 42' ' ' SER . 67.6 m-85 -102.92 8.46 39.11 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 111.973 0.36 . . . . 62.12 111.973 -178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -72.13 123.5 23.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.57 0.7 . . . . 75.13 111.099 -177.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.4 9.37 86.58 Favored Glycine 0 N--CA 1.447 -0.579 0 CA-C-N 115.437 -0.801 . . . . 61.23 113.118 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.429 ' HG3' ' CD ' ' A' ' 52' ' ' GLU . 3.7 mptp? -81.73 130.86 35.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.452 0.644 . . . . 74.22 111.034 -179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.417 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 22.8 p -85.0 163.84 18.64 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.834 -1.075 . . . . 74.4 109.831 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -59.08 -39.97 83.79 Favored 'General case' 0 CA--C 1.514 -0.422 0 C-N-CA 121.062 -0.255 . . . . 71.43 111.088 -178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.42 -49.14 78.77 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 121.174 0.512 . . . . 63.51 109.843 -178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.429 ' CD ' ' HG3' ' A' ' 48' ' ' LYS . 62.8 tt0 -59.62 -49.6 77.13 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.179 -0.919 . . . . 71.2 110.706 176.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 49' ' ' SER . 79.7 mt-30 -55.21 -47.6 75.07 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 115.998 -0.546 . . . . 70.33 110.745 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.8 m170 -60.41 -45.93 91.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.429 . . . . 75.33 110.649 -178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.1 ttt180 -61.41 -42.86 99.41 Favored 'General case' 0 N--CA 1.448 -0.552 0 N-CA-C 111.627 0.232 . . . . 74.14 111.627 178.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 73.3 mtm -63.35 -46.84 84.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.543 0.211 . . . . 75.15 111.165 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.567 HD13 HG21 ' A' ' 71' ' ' ILE . 82.7 mt -59.58 -47.27 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.182 0.515 . . . . 62.1 110.281 177.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -61.27 -32.49 72.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.573 -0.74 . . . . 75.23 110.944 178.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -75.1 -50.61 15.82 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.536 . . . . 73.42 111.261 -178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 14.5 p -69.11 -34.62 64.45 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 CA-C-N 116.641 -0.254 . . . . 74.32 111.336 -176.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -79.22 -38.89 34.57 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.685 -0.487 . . . . 70.44 109.685 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.7 t70 50.55 75.35 0.18 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.496 -0.775 . . . . 64.21 111.347 -177.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 174.01 -162.5 33.12 Favored Glycine 0 N--CA 1.439 -1.146 0 N-CA-C 110.343 -1.103 . . . . 43.43 110.343 179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -96.92 114.75 26.4 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-O 120.955 0.407 . . . . 63.23 110.185 -179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.8 t-20 -93.07 114.9 27.56 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.978 -0.555 . . . . 65.22 109.883 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 38.5 mm -63.23 138.87 22.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.007 -0.542 . . . . 65.41 109.683 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -72.1 84.26 1.0 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.08 0.467 . . . . 73.33 110.625 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -158.29 -173.5 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.206 -0.906 . . . . 64.03 109.259 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.8 mm -95.1 77.25 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.266 0.555 . . . . 52.42 111.35 -174.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -94.24 -45.2 7.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.681 0.753 . . . . 62.22 109.555 173.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.567 HG21 HD13 ' A' ' 57' ' ' ILE . 2.7 tp -114.46 126.04 71.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 114.933 -1.03 . . . . 61.5 110.169 -175.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.55 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 10.1 mm100 -127.0 120.41 28.98 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.968 0.413 . . . . 75.12 110.67 177.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.4 m -116.05 119.98 37.6 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 109.679 -0.489 . . . . 71.51 109.679 175.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 115.39 173.71 17.68 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.687 -0.768 . . . . 44.31 111.646 -176.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 8.9 p -132.18 164.46 26.27 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.616 0.245 . . . . 54.21 110.93 -177.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt . . . . . 0 C--O 1.247 0.952 0 CA-C-O 118.621 -0.705 . . . . 72.44 110.152 177.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo . . . . . 0 N--CA 1.478 0.601 0 N-CA-C 110.483 -0.622 . . . . 72.44 110.483 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 65.82 85.42 0.08 OUTLIER Glycine 0 C--N 1.329 0.181 0 C-N-CA 120.742 -0.742 . . . . 35.53 111.628 -176.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.0 m -93.92 86.18 4.98 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.014 0.435 . . . . 54.01 111.702 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -78.61 -24.92 45.13 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.051 -0.722 . . . . 73.21 109.051 170.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -64.56 135.54 56.09 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 114.938 -1.028 . . . . 71.41 110.617 178.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.7 p -86.83 138.34 19.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.364 -0.606 . . . . 75.41 109.364 175.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.446 HG22 HG21 ' A' ' 26' ' ' VAL . 38.0 p -98.33 159.07 15.18 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.14 0.495 . . . . 72.04 111.54 -175.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -99.82 99.84 10.7 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.796 -0.816 . . . . 72.35 108.796 172.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.7 t -55.16 -38.49 68.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.928 -1.033 . . . . 75.12 111.611 -171.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.35 -53.98 52.03 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.128 -0.229 . . . . 65.43 111.238 -177.028 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 12' ' ' GLU . 4.6 pp -71.62 -33.51 69.03 Favored 'General case' 0 C--N 1.332 -0.166 0 C-N-CA 120.842 -0.343 . . . . 71.13 111.39 -177.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.505 ' N ' HD12 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -65.14 -49.66 69.02 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.103 0.478 . . . . 74.31 109.823 177.132 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.587 ' HG ' ' ND2' ' A' ' 17' ' ' ASN . 2.3 tt -60.34 -36.37 77.81 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.405 -0.816 . . . . 73.45 110.733 177.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -59.54 -50.89 72.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.441 . . . . 72.01 110.203 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 11' ' ' LEU . 49.6 mm -62.71 -44.58 99.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.998 0.428 . . . . 75.31 110.534 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.3 tpt85 -64.15 -37.68 88.32 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.695 -0.684 . . . . 75.13 111.457 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.587 ' ND2' ' HG ' ' A' ' 13' ' ' LEU . 22.0 m-80 -80.83 -34.63 33.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.467 -0.333 . . . . 71.44 111.14 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.86 -43.86 78.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.767 0.317 . . . . 63.32 110.354 177.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 84.1 m-85 -130.16 104.86 16.48 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.527 179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -69.2 -13.43 36.05 Favored 'Trans proline' 0 CA--C 1.528 0.199 0 C-N-CA 122.71 2.273 . . . . 74.32 111.954 178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -98.97 16.57 22.08 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.716 -0.675 . . . . 73.54 110.198 179.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.9 129.64 51.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.961 -0.563 . . . . 74.4 111.714 -176.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.743 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 37.3 tt0 -100.0 117.63 34.69 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.289 -0.869 . . . . 74.04 109.038 172.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.419 HD12 ' N ' ' A' ' 24' ' ' ILE . 4.4 mp -96.23 110.69 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.963 -0.384 . . . . 75.31 109.963 -178.13 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 89.4 m -116.7 108.28 15.71 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.787 0.327 . . . . 60.33 110.505 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.446 HG21 HG22 ' A' ' 7' ' ' THR . 19.1 m -84.3 126.27 40.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.253 0.549 . . . . 74.44 110.449 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.446 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 17.1 m -121.68 122.71 40.19 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.89 -0.596 . . . . 63.14 111.055 -177.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 34.0 t -78.82 122.08 25.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.215 -0.661 . . . . 51.11 109.215 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 35' ' ' HIS . 10.7 mp -66.54 105.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.856 0.36 . . . . 71.35 110.827 -177.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.2 p -58.36 134.14 23.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.792 -0.64 . . . . 71.32 110.785 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 116.14 -69.78 0.28 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.831 -0.699 . . . . 63.24 111.887 -179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.39 -40.78 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.668 0.27 . . . . 71.24 111.297 -178.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 64.1 t30 59.73 43.83 14.93 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.587 0.708 . . . . 73.15 109.294 -169.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -65.72 -25.93 67.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.395 -0.82 . . . . 61.41 110.612 179.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.475 ' O ' HD13 ' A' ' 29' ' ' LEU . 72.7 m80 -146.43 172.45 13.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.56 -0.904 . . . . 54.44 108.56 178.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -112.37 126.86 55.74 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.147 -0.686 . . . . 71.31 109.147 174.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.468 ' HB2' HD11 ' A' ' 29' ' ' LEU . 28.0 t -86.79 120.9 28.57 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.976 0.417 . . . . 63.0 110.149 -176.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.4 tt -100.06 105.61 17.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.592 0.711 . . . . 73.4 110.222 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.562 ' HB2' ' HB ' ' A' ' 25' ' ' THR . 27.2 mtpp -85.9 109.56 18.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.472 -0.785 . . . . 73.43 109.227 178.339 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.541 ' HB ' HG22 ' A' ' 73' ' ' THR . 41.3 t -101.25 104.26 16.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 121.17 0.51 . . . . 63.22 109.937 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.743 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 48.6 mm -95.95 105.4 17.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.679 -0.691 . . . . 73.31 109.851 179.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.455 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 18.8 m -138.86 133.38 31.9 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.959 -0.564 . . . . 71.22 110.077 -179.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.1 t -62.05 -19.97 63.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 73.12 110.725 -178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -23.83 67.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.115 -0.493 . . . . 53.44 111.201 179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.455 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 75.0 m-85 -88.33 -5.03 58.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.561 0.219 . . . . 62.12 111.093 -178.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -65.06 116.6 6.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.387 -0.37 . . . . 75.13 111.028 -176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.96 17.98 78.83 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.99 -0.624 . . . . 61.23 113.277 174.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.784 ' HE2' ' HG3' ' A' ' 52' ' ' GLU . 14.1 mmmm -89.9 142.3 27.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.055 0.427 . . . . 74.22 110.337 177.509 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -64.03 167.8 5.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.733 -0.667 . . . . 74.4 111.114 -179.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -66.75 -31.11 71.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.404 . . . . 71.43 110.451 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 94.1 mt -63.1 -39.47 94.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.314 0.578 . . . . 63.51 110.194 177.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.784 ' HG3' ' HE2' ' A' ' 48' ' ' LYS . 44.3 mm-40 -59.79 -44.9 93.73 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.152 -0.931 . . . . 71.2 109.87 176.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -58.05 -44.43 87.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.597 -0.729 . . . . 70.33 110.186 177.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -55.62 -51.58 66.7 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.214 -0.448 . . . . 75.33 110.649 177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -56.49 -53.73 54.06 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 123.262 0.351 . . . . 74.14 111.12 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.2 mmm -57.07 -53.68 55.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.9 -0.591 . . . . 75.15 111.387 -175.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.557 HG23 HD13 ' A' ' 71' ' ' ILE . 71.0 mt -61.57 -45.75 98.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.467 -0.333 . . . . 62.1 111.014 -178.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.58 ' HE1' ' HA ' ' A' ' 66' ' ' ILE . 11.7 t80 -64.78 -31.67 73.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.957 -0.565 . . . . 75.23 111.308 -176.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.749 ' HA ' ' HE3' ' A' ' 59' ' ' LYS . 0.5 OUTLIER -84.05 -44.13 14.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.565 -0.289 . . . . 73.42 111.569 -179.538 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 97.1 t -72.55 -49.25 42.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.793 0.33 . . . . 74.32 111.098 -177.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.42 ' CD2' HD12 ' A' ' 71' ' ' ILE . 4.6 mm? -87.58 24.3 1.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.217 0.532 . . . . 70.44 110.368 -178.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.68 101.45 1.04 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.556 -0.747 . . . . 64.21 111.404 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -152.03 54.04 0.47 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 109.943 -1.263 . . . . 43.43 109.943 172.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mt 67.48 15.2 9.8 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.396 0.617 . . . . 63.23 110.525 -171.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -95.64 97.27 9.61 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 115.691 -0.686 . . . . 65.22 109.721 177.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.58 ' HA ' ' HE1' ' A' ' 58' ' ' TYR . 57.3 mt -64.16 -34.12 66.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.766 -0.652 . . . . 65.41 110.596 -179.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 35.1 t60 -150.55 101.93 2.99 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.995 -0.548 . . . . 73.33 110.36 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -77.84 135.67 37.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.237 -0.438 . . . . 64.03 110.276 178.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 32.0 pt -114.38 1.51 8.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.519 -0.309 . . . . 52.42 111.796 -176.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.6 pm0 -103.5 4.29 35.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.048 0.452 . . . . 62.22 110.848 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.557 HD13 HG23 ' A' ' 57' ' ' ILE . 11.5 tt -105.61 139.56 26.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.094 -0.503 . . . . 61.5 111.438 -175.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.477 ' OE1' ' HG2' ' A' ' 39' ' ' LYS . 45.8 tt0 -127.57 108.62 10.95 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.72 -0.474 . . . . 75.12 109.72 172.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.541 HG22 ' HB ' ' A' ' 40' ' ' VAL . 14.6 p -115.17 132.97 56.44 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.248 -0.433 . . . . 71.51 110.768 178.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 164.49 -173.54 40.45 Favored Glycine 0 N--CA 1.443 -0.874 0 C-N-CA 120.394 -0.907 . . . . 44.31 112.589 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 78.5 m -134.28 162.47 32.09 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.935 -0.394 . . . . 54.21 109.935 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 76' ' ' LYS . 9.9 mtpm? . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.837 -0.601 . . . . 72.44 109.429 177.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo . . . . . 0 N--CA 1.479 0.669 0 N-CA-C 110.649 -0.558 . . . . 72.44 110.649 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.93 -133.42 6.59 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.751 -0.738 . . . . 35.53 111.875 178.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.3 t -115.13 159.65 20.63 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.784 0.326 . . . . 54.01 110.302 179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 ptm -129.66 7.88 5.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.198 0.523 . . . . 73.21 109.826 177.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 m -71.87 113.78 9.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.638 -0.71 . . . . 71.41 110.202 179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 30.7 m -89.62 165.08 2.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.227 -0.442 . . . . 75.41 110.964 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.6 m -111.26 158.42 19.0 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.115 -0.493 . . . . 72.04 109.948 179.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.488 ' HB3' ' HB2' ' A' ' 11' ' ' LEU . 13.8 mm100 -86.87 73.87 9.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.836 -0.431 . . . . 72.35 109.836 177.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 t -66.88 -39.34 87.47 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.184 -0.462 . . . . 75.12 111.191 -174.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -68.43 -37.3 80.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.989 0.424 . . . . 65.43 110.3 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.488 ' HB2' ' HB3' ' A' ' 8' ' ' GLN . 7.5 mp -71.91 -36.96 70.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.91 -0.586 . . . . 71.13 110.236 177.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -60.47 -50.05 75.11 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.353 -0.61 . . . . 74.31 109.353 174.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.79 -40.65 76.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.282 -0.872 . . . . 73.45 110.231 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.3 tp -58.84 -51.08 71.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.276 -0.42 . . . . 72.01 110.789 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mm -70.25 -43.85 78.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.998 -0.547 . . . . 75.31 110.894 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.5 tpp85 -65.34 -32.0 73.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.396 -0.366 . . . . 75.13 111.263 -178.303 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -80.63 -35.73 33.57 Favored 'General case' 0 C--N 1.327 -0.378 0 O-C-N 122.16 -0.337 . . . . 71.44 110.583 177.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.78 -45.8 67.21 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.305 -0.407 . . . . 63.32 110.69 177.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -129.32 98.27 23.61 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.938 -0.574 . . . . 74.13 110.0 178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.16 -10.38 27.21 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.657 2.238 . . . . 74.32 111.63 179.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' H ' ' HG2' ' A' ' 21' ' ' GLU . 0.7 OUTLIER -103.78 18.46 21.89 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.449 -0.796 . . . . 73.54 110.679 -178.153 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -131.53 139.89 49.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.229 -0.441 . . . . 74.4 110.499 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -98.54 147.01 25.21 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.188 0.518 . . . . 74.04 111.721 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 38' ' ' ILE . 3.8 mp -103.96 111.06 32.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.371 -0.831 . . . . 75.31 110.65 -177.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.436 ' HB ' ' HB2' ' A' ' 39' ' ' LYS . 17.2 m -106.5 105.52 15.59 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.157 -0.474 . . . . 60.33 110.079 177.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.44 HG22 HG12 ' A' ' 38' ' ' ILE . 48.2 t -86.36 113.39 24.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 121.184 0.516 . . . . 74.44 110.886 -176.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 18.9 m -98.34 120.08 38.12 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.474 -0.784 . . . . 63.14 110.171 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.8 p -89.44 111.91 22.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.993 0.425 . . . . 51.11 110.483 178.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 29' ' ' LEU . 2.9 mm? -88.28 77.84 8.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.935 -0.394 . . . . 71.35 109.935 -179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -81.71 90.21 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.24 0.543 . . . . 71.32 110.465 -177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 32' ' ' ASP . . . -147.26 74.86 0.28 Allowed Glycine 0 N--CA 1.446 -0.641 0 CA-C-N 115.476 -0.784 . . . . 63.24 111.671 178.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 31' ' ' GLY . 3.8 m-20 71.22 7.92 6.26 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.232 0.613 . . . . 71.24 111.611 179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.421 ' OD1' ' HB2' ' A' ' 35' ' ' HIS . 8.0 p30 -158.97 163.68 36.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.914 -0.402 . . . . 73.15 109.914 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 42.4 m-80 -103.96 84.72 2.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.271 -0.422 . . . . 61.41 110.695 176.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.421 ' HB2' ' OD1' ' A' ' 33' ' ' ASN . 41.1 t-80 -112.09 128.85 56.32 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.523 -0.547 . . . . 54.44 109.523 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -116.92 127.39 54.2 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 120.768 0.318 . . . . 71.31 110.194 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 57.3 m -119.76 133.42 55.62 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.02 -0.536 . . . . 63.0 109.869 178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.538 HG23 HG23 ' A' ' 24' ' ' ILE . 53.4 mt -99.85 119.58 48.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 116.316 -0.402 . . . . 73.4 111.185 -177.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 28.7 mtpp -90.96 120.73 32.19 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.861 -0.608 . . . . 73.43 110.015 173.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 52.5 t -90.03 109.16 20.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 115.62 -0.718 . . . . 63.22 109.74 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -101.9 117.95 47.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.698 -0.683 . . . . 73.31 110.805 -176.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 t -161.05 144.99 13.36 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.731 -0.668 . . . . 71.22 109.617 177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.5 m -66.21 -11.51 50.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.765 0.317 . . . . 73.12 111.035 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -79.81 -13.03 59.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.279 -0.419 . . . . 53.44 110.566 178.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -95.67 -10.55 29.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.159 0.504 . . . . 62.12 110.005 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -75.98 130.99 39.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.459 -0.571 . . . . 75.13 109.459 177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.12 -23.92 34.03 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.731 -0.747 . . . . 61.23 111.799 -178.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.779 ' HA ' ' HE2' ' A' ' 48' ' ' LYS . 11.9 mmpt? -63.35 145.95 54.52 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.916 0.389 . . . . 74.22 110.727 173.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.4 m -80.35 156.5 26.71 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 109.136 -0.69 . . . . 74.4 109.136 171.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -55.91 -41.77 75.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.898 0.38 . . . . 71.43 110.467 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.76 -42.49 99.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.808 -0.633 . . . . 63.51 110.108 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -55.96 -52.7 63.24 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.88 0.372 . . . . 71.2 110.586 177.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.458 ' O ' HG12 ' A' ' 57' ' ' ILE . 79.9 mt-30 -59.87 -41.32 91.23 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.645 -0.707 . . . . 70.33 110.672 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -64.54 -40.2 95.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.329 -0.396 . . . . 75.33 111.232 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -66.58 -49.84 65.04 Favored 'General case' 0 C--N 1.328 -0.345 0 O-C-N 122.962 0.164 . . . . 74.14 111.288 178.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 23.7 ptm -62.38 -39.32 92.83 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.895 -0.322 . . . . 75.15 110.705 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 53' ' ' GLN . 34.9 mm -69.49 -43.19 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.893 0.378 . . . . 62.1 110.48 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 51.8 t80 -57.75 -37.17 73.17 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.822 -0.626 . . . . 75.23 110.66 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -79.82 -50.42 10.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.857 -0.611 . . . . 73.42 111.328 -177.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.54 -38.31 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-N 116.464 -0.335 . . . . 74.32 111.887 -175.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -78.05 -2.61 38.07 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.798 -0.183 . . . . 70.44 111.2 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 58.18 29.69 18.31 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.369 0.604 . . . . 64.21 111.411 172.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -100.91 112.0 4.3 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.749 -0.738 . . . . 43.43 111.421 -178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 7.0 tt -100.5 114.04 27.32 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.867 -0.42 . . . . 63.23 109.867 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 10.3 t30 55.54 78.55 0.19 Allowed 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.575 -0.738 . . . . 65.22 111.312 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 7.9 tp -163.23 139.12 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.396 -0.82 . . . . 65.41 109.995 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 77.2 m80 -85.57 73.68 10.42 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.264 0.554 . . . . 73.33 110.259 176.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -90.81 77.78 6.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.684 -0.689 . . . . 64.03 110.808 -179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 pt -81.05 38.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.44 0.638 . . . . 52.42 110.772 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -89.26 -28.66 19.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.57 -0.741 . . . . 62.22 110.14 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 6.6 tt -122.65 129.08 75.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.048 -0.524 . . . . 61.5 110.818 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.586 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 9.1 mm100 -124.4 148.01 47.86 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.527 -0.76 . . . . 75.12 109.201 177.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 9.7 p -108.91 -174.3 2.48 Favored 'General case' 0 C--N 1.313 -0.992 0 C-N-CA 120.901 -0.319 . . . . 71.51 111.179 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.26 96.72 2.09 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.674 -0.774 . . . . 44.31 111.585 176.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 65.4 m -80.73 154.51 27.21 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.059 -0.349 . . . . 54.21 110.059 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.275 -0.869 . . . . 72.44 111.137 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_endo . . . . . 0 N--CA 1.478 0.616 0 N-CA-C 110.542 -0.599 . . . . 72.44 110.542 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.09 80.12 0.83 Allowed Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.614 -0.803 . . . . 35.53 112.064 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 p -102.89 149.85 24.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.781 0.324 . . . . 54.01 110.701 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.8 ptp -76.28 -20.9 56.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.221 -0.445 . . . . 73.21 110.544 176.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.3 p -76.02 110.27 10.36 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.975 -0.557 . . . . 71.41 110.855 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.7 p -104.89 137.14 35.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.96 -0.564 . . . . 75.41 110.979 -178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.527 HG21 HG21 ' A' ' 26' ' ' VAL . 14.6 t -113.07 179.56 3.93 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.655 -0.702 . . . . 72.04 109.49 176.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.532 ' HG3' ' H ' ' A' ' 11' ' ' LEU . 6.1 tp-100 -64.01 112.28 2.89 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.959 -0.386 . . . . 72.35 109.959 176.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 m -57.06 -34.42 68.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.748 -0.66 . . . . 75.12 111.387 -178.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 55.3 tt0 -66.63 -37.35 84.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 65.43 110.571 178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.532 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 3.0 tt -70.84 -42.0 70.76 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.382 -0.599 . . . . 71.13 109.382 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.3 tm-20 -58.22 -48.61 79.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.693 -0.685 . . . . 74.31 109.649 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tt -60.07 -38.25 82.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.435 -0.802 . . . . 73.45 110.915 177.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -61.99 -47.66 83.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.143 -0.481 . . . . 72.01 109.882 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.73 -39.97 87.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.575 -0.284 . . . . 75.31 110.545 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.49 -35.59 78.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.809 0.337 . . . . 75.13 111.197 177.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -76.46 -33.52 58.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.801 0.334 . . . . 71.44 110.949 179.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.0 -48.42 53.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.054 0.454 . . . . 63.32 110.16 176.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.3 m-85 -135.34 97.2 13.36 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.898 -0.592 . . . . 74.13 109.538 177.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.91 -20.42 51.42 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.642 2.228 . . . . 74.32 112.912 -175.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.86 15.63 27.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.937 0.398 . . . . 73.54 110.759 179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -95.79 129.4 43.03 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.103 -0.499 . . . . 74.4 109.998 175.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -88.86 126.67 35.47 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.996 -0.547 . . . . 74.04 109.718 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.17 110.97 21.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.794 -0.639 . . . . 75.31 110.39 -177.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.46 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 8.0 m -113.23 105.41 13.39 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.734 -0.386 . . . . 60.33 110.423 174.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.527 HG21 HG21 ' A' ' 7' ' ' THR . 52.3 t -98.06 106.73 19.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 121.04 0.448 . . . . 74.44 109.902 178.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 8.8 t -110.18 147.74 33.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.879 -0.6 . . . . 63.14 110.571 -175.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -96.44 137.67 35.17 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.903 -0.59 . . . . 51.11 109.689 177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.544 ' HB2' ' HB2' ' A' ' 32' ' ' ASP . 8.6 mp -68.29 138.59 55.6 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.985 -0.376 . . . . 71.35 109.985 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.2 m -63.36 91.17 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.593 0.711 . . . . 71.32 111.486 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.24 -11.7 10.61 Favored Glycine 0 N--CA 1.449 -0.495 0 CA-C-N 115.844 -0.616 . . . . 63.24 112.103 -178.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.544 ' HB2' ' HB2' ' A' ' 29' ' ' LEU . 0.5 OUTLIER -121.03 103.43 9.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.721 0.296 . . . . 71.24 110.709 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -86.29 -14.17 44.49 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.035 0.445 . . . . 73.15 110.351 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -88.7 -45.94 9.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.897 -0.592 . . . . 61.41 110.229 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -85.05 126.26 33.42 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.095 -0.502 . . . . 54.44 110.566 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -118.22 152.92 34.78 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.825 -0.435 . . . . 71.31 109.825 177.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 45.8 m -119.98 129.42 54.29 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 109.686 -0.487 . . . . 63.0 109.686 175.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 62.2 mt -99.32 102.33 13.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.6 0.714 . . . . 73.4 109.957 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 27.8 ttpp -89.43 109.89 20.77 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.094 -0.957 . . . . 73.43 110.083 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' A' ' 22' ' ' ALA . 97.2 t -96.92 125.43 49.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.619 -0.718 . . . . 63.22 110.639 -177.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.586 HD11 ' SG ' ' A' ' 75' ' ' CYS . 25.9 mt -111.52 131.48 62.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.811 0.338 . . . . 73.31 110.898 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.535 ' HB3' ' CD2' ' A' ' 45' ' ' PHE . 35.2 t -162.78 148.38 12.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.701 -0.681 . . . . 71.22 109.393 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.4 t -56.83 -32.7 66.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 73.12 111.157 -178.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -67.91 -14.52 63.03 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.538 -0.301 . . . . 53.44 111.402 -178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.831 ' HB3' HE22 ' A' ' 53' ' ' GLN . 58.4 m-85 -96.81 -7.17 34.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 62.12 110.758 179.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -87.49 131.82 34.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.92 0.39 . . . . 75.13 110.366 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.96 -22.83 38.81 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 121.124 -0.56 . . . . 61.23 111.928 -177.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 33.8 mmtp -79.03 148.68 32.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.616 0.246 . . . . 74.22 110.447 178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.2 m -87.18 158.75 19.07 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.1 -0.704 . . . . 74.4 109.1 172.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -52.24 -37.74 56.12 Favored 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 112.38 0.511 . . . . 71.43 112.38 -176.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.44 -49.77 76.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.857 -0.423 . . . . 63.51 109.857 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -57.12 -45.76 83.2 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.885 -0.598 . . . . 71.2 110.123 177.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.831 HE22 ' HB3' ' A' ' 45' ' ' PHE . 13.4 mm100 -54.75 -47.5 73.78 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 115.119 -0.946 . . . . 70.33 110.637 177.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 50.2 m80 -63.86 -36.89 85.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 75.33 110.665 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 87.2 mtt180 -62.59 -54.85 33.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.731 0.3 . . . . 74.14 111.089 178.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.2 ptm -68.46 -33.86 74.94 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.581 -0.448 . . . . 75.15 110.837 -175.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.448 ' HA ' HG12 ' A' ' 60' ' ' VAL . 27.5 mm -66.87 -41.44 87.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.778 0.323 . . . . 62.1 110.341 175.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -66.73 -31.83 72.74 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.995 -0.282 . . . . 75.23 110.874 178.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 55' ' ' ARG . 30.1 mmmt -80.06 -27.37 39.36 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.452 -0.499 . . . . 73.42 111.666 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.448 HG12 ' HA ' ' A' ' 57' ' ' ILE . 9.3 p -81.03 -23.56 10.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.368 0.604 . . . . 74.32 110.2 173.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -108.1 33.72 3.97 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.992 -0.744 . . . . 70.44 108.992 174.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -68.44 130.49 43.03 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.145 -0.934 . . . . 64.21 112.125 -171.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 127.65 -25.92 4.96 Favored Glycine 0 N--CA 1.447 -0.574 0 CA-C-N 115.764 -0.653 . . . . 43.43 112.3 178.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.5 mt -100.94 -163.56 1.03 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.607 0.241 . . . . 63.23 110.708 -178.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -70.8 155.0 41.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.915 0.388 . . . . 65.22 110.636 177.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.5 mt -80.91 -3.98 7.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.047 -0.524 . . . . 65.41 111.529 -174.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 76.0 t60 -80.83 85.09 6.21 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.312 0.577 . . . . 73.33 110.753 -177.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.81 93.7 3.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.695 -0.684 . . . . 64.03 110.908 179.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.8 tt -121.53 -20.61 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.719 -0.673 . . . . 52.42 110.497 175.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -71.47 -23.41 61.81 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.878 -0.601 . . . . 62.22 110.218 179.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 8.0 tt -136.41 134.68 49.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.34 -0.845 . . . . 61.5 109.111 177.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.571 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -140.59 163.35 33.1 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.771 -0.455 . . . . 75.12 109.771 -173.497 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 40' ' ' VAL . 14.5 p -135.07 149.53 50.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.857 0.361 . . . . 71.51 111.18 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 88.21 137.3 5.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.962 -0.637 . . . . 44.31 112.132 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . 0.586 ' SG ' HD11 ' A' ' 41' ' ' ILE . 55.8 m -109.95 141.32 42.87 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.065 0.46 . . . . 54.21 111.531 -177.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.482 ' HE3' ' HB2' ' A' ' 76' ' ' LYS . 17.3 ptmt . . . . . 0 C--O 1.244 0.78 0 N-CA-C 109.199 -0.667 . . . . 72.44 109.199 172.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo . . . . . 0 N--CA 1.475 0.418 0 N-CA-C 110.0 -0.808 . . . . 72.44 110.0 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -70.82 97.06 0.61 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.782 -0.723 . . . . 35.53 111.992 177.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.429 ' C ' ' H ' ' A' ' 5' ' ' THR . 61.2 p 49.11 -90.55 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.269 1.028 . . . . 54.01 112.834 -178.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 60.6 mtt 70.66 -14.0 0.45 Allowed 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.678 0.791 . . . . 73.21 111.981 -178.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 3' ' ' SER . 8.6 m -67.97 110.26 3.82 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.525 -0.546 . . . . 71.41 109.525 173.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.453 HG13 ' HB2' ' A' ' 9' ' ' SER . 11.0 p -113.95 140.4 34.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.222 0.534 . . . . 75.41 111.479 -172.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.46 ' O ' ' HB3' ' A' ' 8' ' ' GLN . 2.9 m -79.74 159.51 26.58 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.618 -0.719 . . . . 72.04 109.604 177.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.625 HE22 HG21 ' A' ' 26' ' ' VAL . 23.6 tt0 75.83 1.64 3.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.088 0.47 . . . . 72.35 111.234 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.453 ' HB2' HG13 ' A' ' 6' ' ' VAL . 9.6 t -64.74 -40.09 94.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.494 -0.321 . . . . 75.12 110.523 -178.315 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 56.0 tp60 -66.3 -38.68 88.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.395 -0.366 . . . . 65.43 110.293 178.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.526 HD11 HG21 ' A' ' 38' ' ' ILE . 3.4 tm? -61.36 -49.45 76.89 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.139 -0.482 . . . . 71.13 109.784 176.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -58.88 -45.5 90.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.617 177.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -56.59 -47.99 78.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.02 -0.536 . . . . 73.45 110.172 176.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.2 tp -59.17 -50.98 71.95 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.212 -0.449 . . . . 72.01 110.924 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mm -63.66 -43.08 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 75.31 111.097 -177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.43 -29.22 63.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.823 0.344 . . . . 75.13 110.741 -177.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.421 HD22 ' N ' ' A' ' 17' ' ' ASN . 0.9 OUTLIER -78.85 -28.44 44.25 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.832 -0.347 . . . . 71.44 110.186 178.606 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.33 -46.53 22.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.303 -0.408 . . . . 63.32 110.747 175.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.554 ' HZ ' HG11 ' A' ' 60' ' ' VAL . 54.1 m-85 -114.62 98.42 49.36 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.306 -0.406 . . . . 74.13 110.249 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -76.23 -10.83 19.34 Favored 'Trans proline' 0 CA--C 1.529 0.25 0 C-N-CA 122.549 2.166 . . . . 74.32 113.41 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -112.65 30.56 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.105 0.478 . . . . 73.54 110.453 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' HA ' ' O ' ' A' ' 41' ' ' ILE . . . -113.27 139.28 48.95 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.102 -0.499 . . . . 74.4 112.175 -176.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -100.66 120.01 39.43 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.389 -0.967 . . . . 74.04 108.389 167.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 22.6 mt -88.73 110.49 21.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.082 -0.508 . . . . 75.31 110.883 -175.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.493 ' HB ' ' HB3' ' A' ' 39' ' ' LYS . 33.1 m -109.67 105.58 14.9 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.71 -0.478 . . . . 60.33 109.71 176.29 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.625 HG21 HE22 ' A' ' 8' ' ' GLN . 18.5 m -86.87 128.24 39.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-O 121.237 0.541 . . . . 74.44 110.596 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.795 HG23 ' HB2' ' A' ' 37' ' ' SER . 2.0 t -111.22 119.31 38.49 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.525 0.679 . . . . 63.14 110.334 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.5 m -94.27 127.29 40.04 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.067 -0.97 . . . . 51.11 110.411 -178.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.6 mp -88.31 152.65 21.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.187 -0.46 . . . . 71.35 109.964 178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.7 p -55.75 132.98 19.72 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 121.156 0.503 . . . . 71.32 111.209 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.428 ' C ' ' H ' ' A' ' 33' ' ' ASN . . . 120.53 -50.62 0.82 Allowed Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.88 -0.676 . . . . 63.24 112.259 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 69.99 -18.31 0.23 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.344 0.657 . . . . 71.24 112.496 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.428 ' H ' ' C ' ' A' ' 31' ' ' GLY . 26.9 t-20 -68.14 -31.03 70.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.146 0.498 . . . . 73.15 110.055 178.168 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -82.32 -177.99 6.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.493 -0.776 . . . . 61.41 109.844 176.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.788 ' HB2' HE22 ' A' ' 70' ' ' GLN . 28.7 m-70 -86.44 172.33 10.45 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 121.003 -0.279 . . . . 54.44 110.508 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 53.4 m-85 -103.85 163.45 12.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.277 -0.42 . . . . 71.31 110.094 -176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.795 ' HB2' HG23 ' A' ' 27' ' ' THR . 35.8 m -108.94 145.16 35.9 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.882 0.372 . . . . 63.0 110.24 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.526 HG21 HD11 ' A' ' 11' ' ' LEU . 20.2 pt -107.46 114.15 45.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.344 0.592 . . . . 73.4 111.069 -177.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 54.7 tttm -97.38 108.36 21.07 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.649 -0.871 . . . . 73.43 108.649 175.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' HB ' HG22 ' A' ' 73' ' ' THR . 54.0 t -105.36 116.52 49.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 CA-C-N 115.953 -0.567 . . . . 63.22 110.659 -174.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 45.3 mm -94.73 108.41 20.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.998 -0.546 . . . . 73.31 110.242 178.394 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.485 ' HB2' ' CD2' ' A' ' 45' ' ' PHE . 15.0 m -137.63 145.61 42.93 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.078 -0.51 . . . . 71.22 109.923 178.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -59.52 -25.48 64.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 73.12 111.334 -179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -76.28 -13.15 60.17 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.342 -0.39 . . . . 53.44 111.563 -177.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 42' ' ' SER . 53.5 m-85 -103.84 -6.66 21.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.697 0.284 . . . . 62.12 111.475 -177.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -71.48 116.51 11.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.088 0.47 . . . . 75.13 111.041 -176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.62 18.22 66.52 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.662 -0.699 . . . . 61.23 112.793 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -95.88 139.63 31.81 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.04 0.447 . . . . 74.22 111.404 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 40.4 m -83.55 172.68 12.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.541 -0.754 . . . . 74.4 109.974 176.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.6 pttt -64.5 -31.98 73.42 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 112.146 0.425 . . . . 71.43 112.146 -176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.02 -47.27 85.5 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.248 -0.649 . . . . 63.51 109.248 178.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.43 -42.08 99.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.189 -0.914 . . . . 71.2 110.019 177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' O ' HG12 ' A' ' 57' ' ' ILE . 82.3 mm-40 -58.11 -45.82 86.62 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 115.919 -0.582 . . . . 70.33 110.444 175.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -54.66 -52.33 62.68 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.423 -0.353 . . . . 75.33 110.398 178.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -54.67 -54.42 41.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.024 0.44 . . . . 74.14 110.944 178.045 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 95.8 mmm -61.34 -53.55 55.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.658 -0.701 . . . . 75.15 111.38 -174.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 53' ' ' GLN . 33.7 mm -61.45 -48.79 87.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.559 -0.291 . . . . 62.1 111.231 -176.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -68.29 -32.15 72.1 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.605 -0.438 . . . . 75.23 111.628 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.438 ' HD3' ' HA ' ' A' ' 59' ' ' LYS . 25.5 mmtm -80.73 -32.01 35.87 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.473 0.545 . . . . 73.42 112.473 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.554 HG11 ' HZ ' ' A' ' 19' ' ' PHE . 9.9 p -81.06 -31.07 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 C-N-CA 120.646 -0.421 . . . . 74.32 110.871 -179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 70.4 mt -86.33 -13.26 47.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 110.137 -0.32 . . . . 70.44 110.137 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 73.28 -56.32 0.66 Allowed 'General case' 0 N--CA 1.472 0.642 0 O-C-N 124.163 0.915 . . . . 64.21 112.02 177.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -91.67 112.66 4.21 Favored Glycine 0 N--CA 1.437 -1.253 0 CA-C-N 115.192 -0.913 . . . . 43.43 112.224 -176.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.776 ' H ' HD23 ' A' ' 64' ' ' LEU . 2.2 pt? -77.54 2.96 14.78 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 120.919 0.39 . . . . 63.23 110.689 177.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -74.59 -18.33 60.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.033 -0.53 . . . . 65.22 111.034 178.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.426 HG12 ' H ' ' A' ' 68' ' ' ALA . 14.5 tt -62.24 146.9 11.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 65.41 110.991 -179.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 30.5 p-80 -52.95 -36.84 60.44 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.145 -0.48 . . . . 73.33 111.651 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.569 ' O ' HG22 ' A' ' 71' ' ' ILE . . . 70.05 -30.48 0.2 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.563 1.32 . . . . 64.03 114.563 169.346 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 69' ' ' ILE . 11.3 tt -72.94 23.54 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.514 0.673 . . . . 52.42 112.515 -173.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.788 HE22 ' HB2' ' A' ' 35' ' ' HIS . 94.5 mt-30 -129.07 16.75 6.18 Favored 'General case' 0 C--N 1.323 -0.581 0 O-C-N 121.626 -0.671 . . . . 62.22 110.899 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.569 HG22 ' O ' ' A' ' 68' ' ' ALA . 3.0 tp -97.28 125.23 50.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.095 -0.502 . . . . 61.5 109.824 176.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.542 ' O ' ' HA ' ' A' ' 39' ' ' LYS . 41.5 mt-30 -123.29 108.19 12.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.088 0.471 . . . . 75.12 109.733 173.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.472 HG22 ' HB ' ' A' ' 40' ' ' VAL . 1.6 p -135.47 141.07 45.3 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.85 -0.614 . . . . 71.51 110.583 -176.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 140.95 -134.65 6.49 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.121 -1.037 . . . . 44.31 112.961 177.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 38.9 t -102.72 148.35 25.7 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.941 0.401 . . . . 54.21 111.55 -172.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 55.2 tptt . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.326 -0.845 . . . . 72.44 109.556 175.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 N--CA 1.478 0.603 0 N-CA-C 110.536 -0.601 . . . . 72.44 110.536 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 130.53 89.25 0.51 Allowed Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.702 -0.761 . . . . 35.53 112.642 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.6 t -62.39 -57.45 11.26 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.193 -0.669 . . . . 54.01 109.193 175.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 59.3 mtt -89.05 120.54 30.55 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.156 -0.683 . . . . 73.21 109.156 171.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -70.29 137.59 50.85 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.427 -0.351 . . . . 71.41 110.922 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 10.1 p -86.78 142.05 13.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.955 -0.566 . . . . 75.41 109.562 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.1 t -83.94 158.71 21.47 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.225 -0.287 . . . . 72.04 110.225 -179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -95.33 111.4 23.27 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.757 -0.46 . . . . 72.35 109.757 -178.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 m -52.06 -52.34 51.75 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-N 115.411 -0.813 . . . . 75.12 112.005 -173.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -59.03 -50.22 74.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.734 0.302 . . . . 65.43 111.732 -174.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.3 mt -64.75 -45.97 84.16 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.15 -0.477 . . . . 71.13 110.929 -176.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HG3' HG21 ' A' ' 24' ' ' ILE . 21.8 tt0 -67.0 -44.01 81.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.828 0.346 . . . . 74.31 110.24 -179.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 tt -56.51 -38.65 72.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.949 -0.568 . . . . 73.45 110.383 177.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.5 tp -60.25 -49.29 78.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.985 -0.552 . . . . 72.01 110.176 178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.7 mt -66.89 -38.93 82.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.008 -0.542 . . . . 75.31 110.745 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 16' ' ' ARG . 10.0 mmm180 -62.64 -36.6 83.35 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.883 0.373 . . . . 75.13 111.408 179.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 m-80 -75.59 -41.26 55.01 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.317 -0.401 . . . . 71.44 110.953 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.89 -52.57 23.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.905 0.383 . . . . 63.32 111.187 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -137.45 93.1 12.94 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.048 -0.524 . . . . 74.13 109.753 -179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.26 -26.94 71.91 Favored 'Trans proline' 0 C--O 1.233 0.255 0 C-N-CA 122.463 2.109 . . . . 74.32 111.898 -179.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -95.96 11.97 32.05 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.709 -0.678 . . . . 73.54 111.368 -176.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.23 143.08 29.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.499 -0.319 . . . . 74.4 110.722 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.738 ' HB3' ' HB ' ' A' ' 41' ' ' ILE . 40.5 tt0 -81.35 110.58 16.93 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.955 -0.387 . . . . 74.04 109.955 177.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.427 HG21 ' HG3' ' A' ' 12' ' ' GLU . 53.8 mt -101.04 110.88 29.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.097 -0.502 . . . . 75.31 109.956 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 25.8 m -123.41 112.8 17.98 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.102 0.477 . . . . 60.33 110.569 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.1 m -83.18 114.33 23.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.204 0.526 . . . . 74.44 110.06 178.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.802 ' HB ' ' HB3' ' A' ' 37' ' ' SER . 21.0 m -93.84 105.59 17.61 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.031 -0.531 . . . . 63.14 109.942 -177.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.6 m -91.63 101.09 13.71 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.429 -0.805 . . . . 51.11 110.402 -178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 29' ' ' LEU . 2.7 pt? -137.7 142.13 41.06 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.939 -0.763 . . . . 71.35 108.939 177.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.6 p -167.73 114.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.516 0.674 . . . . 71.32 111.608 -178.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.39 -53.24 0.46 Allowed Glycine 0 N--CA 1.445 -0.712 0 N-CA-C 109.526 -1.43 . . . . 63.24 109.526 169.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -95.14 149.12 21.64 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.103 -1.073 . . . . 71.24 108.103 170.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -64.07 101.8 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.111 0.482 . . . . 73.15 111.728 -174.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -145.31 -169.43 3.2 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.818 -0.808 . . . . 61.41 108.818 179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -89.82 -176.67 5.02 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.274 -0.269 . . . . 54.44 110.274 178.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -103.52 168.17 9.33 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.135 -0.321 . . . . 71.31 110.135 -178.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.802 ' HB3' ' HB ' ' A' ' 27' ' ' THR . 8.2 t -101.39 130.05 47.53 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.022 0.439 . . . . 63.0 110.945 -173.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 51.1 mt -100.07 104.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.127 -0.488 . . . . 73.4 110.067 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.671 ' HD3' HG12 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -93.7 112.89 24.85 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.694 -0.484 . . . . 73.43 109.694 179.401 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 54.4 t -118.85 113.26 41.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.065 -0.516 . . . . 63.22 110.55 -178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.738 ' HB ' ' HB3' ' A' ' 23' ' ' GLU . 44.3 mm -100.16 111.55 30.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.16 0.505 . . . . 73.31 110.07 177.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 11.9 m -143.29 126.55 16.59 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.542 -0.754 . . . . 71.22 109.55 178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.0 m -65.28 -9.55 25.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.087 0.47 . . . . 73.12 111.55 -179.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -88.37 -1.42 58.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.24 -0.436 . . . . 53.44 111.577 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -80.82 -11.28 59.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.237 0.541 . . . . 62.12 110.023 175.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -98.77 143.75 28.77 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.416 -0.811 . . . . 75.13 109.573 177.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 98.71 -6.23 60.5 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.617 -0.801 . . . . 61.23 112.169 -177.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.3 mtpp -101.39 141.71 33.85 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.713 -0.477 . . . . 74.22 109.713 173.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.0 m -60.75 157.69 14.33 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.898 -0.592 . . . . 74.4 111.329 -178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HG2' ' CE1' ' A' ' 54' ' ' HIS . 14.0 ttmm -54.39 -45.05 72.8 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-N 115.853 -0.612 . . . . 71.43 110.26 -179.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 76.6 mt -60.53 -42.72 97.08 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-N 115.723 -0.671 . . . . 63.51 111.317 179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -66.15 -38.46 88.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 71.2 110.135 -177.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -60.97 -47.55 85.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 70.33 109.928 174.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . 0.408 ' CE1' ' HG2' ' A' ' 50' ' ' LYS . 38.4 m80 -63.47 -33.81 76.39 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-N 116.282 -0.417 . . . . 75.33 110.383 176.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -50.25 69.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.776 -0.647 . . . . 74.14 110.716 -178.339 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.8 ptm -70.23 -33.6 71.85 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.505 -0.316 . . . . 75.15 110.889 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 76.7 mt -62.87 -43.25 98.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.203 0.525 . . . . 62.1 109.741 173.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -61.39 -36.67 80.93 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 115.678 -0.692 . . . . 75.23 110.984 176.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.7 mmmm -68.71 -46.57 68.63 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.348 0.499 . . . . 73.42 112.348 178.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.534 HG13 ' HG ' ' A' ' 61' ' ' LEU . 11.1 p -74.85 -36.3 39.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 112.179 0.437 . . . . 74.32 112.179 -173.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.653 HD11 ' HB ' ' A' ' 71' ' ' ILE . 70.1 mt -106.19 -19.53 13.68 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.324 0.49 . . . . 70.44 112.324 -176.241 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.7 t70 55.45 74.64 0.36 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.569 0.699 . . . . 64.21 109.511 -170.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -130.03 92.49 0.31 Allowed Glycine 0 N--CA 1.441 -1.001 0 C-N-CA 120.378 -0.915 . . . . 43.43 113.228 -173.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 85.7 mt -82.64 -2.79 54.96 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.671 0.748 . . . . 63.23 109.222 169.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -90.53 106.61 18.62 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.776 -1.102 . . . . 65.22 108.783 174.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.4 pt -72.72 86.53 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.497 0.665 . . . . 65.41 112.252 -174.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 18.2 m80 -147.57 97.42 2.83 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.463 -0.789 . . . . 73.33 110.301 176.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -79.06 72.83 5.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.294 0.569 . . . . 64.03 111.029 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.0 tp -127.08 -33.19 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.657 -0.701 . . . . 52.42 110.337 178.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -79.29 -14.47 59.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.381 0.61 . . . . 62.22 110.254 178.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.653 ' HB ' HD11 ' A' ' 61' ' ' LEU . 8.0 tp -127.69 134.1 66.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.792 -0.64 . . . . 61.5 109.922 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.438 ' HB3' ' HA ' ' A' ' 39' ' ' LYS . 6.2 tp-100 -127.86 108.56 10.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.215 0.531 . . . . 75.12 110.299 178.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.9 p -141.9 119.93 12.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.495 -0.775 . . . . 71.51 109.979 179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 175.66 -176.93 47.53 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.746 -0.74 . . . . 44.31 111.85 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' CYS . . . . . . . . . . . . . 51.4 t -127.15 122.49 34.31 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.845 0.355 . . . . 54.21 110.477 -179.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 58.3 tptt . . . . . 0 C--O 1.247 0.966 0 CA-C-O 118.348 -0.834 . . . . 72.44 109.834 -179.446 . . . . . . . . 0 0 . 1 stop_ save_